SCHEMBL1207171

SCHEMBL1207171

C[C@H]1[C@H]2Cc3cc(Br)c(O)cc3[C@]1(C)CCN2C(=O)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.57
HSD11B1 P28845 5/20 0.48
OPRM1 P35372 5/20 0.43
OPRK1 P41145 5/20 0.43
OPRD1 P41143 4/20 0.43
MRGPRX2 Q96LB1 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18407969 1.00 SIGMAR1 (0.57) SIGMAR1HSD11B1OPRM1OPRK1OPRD1
SCHEMBL1396472 1.00 SIGMAR1 (0.57) SIGMAR1HSD11B1OPRM1OPRK1OPRD1
SCHEMBL1207393 1.00 SIGMAR1 (0.57) SIGMAR1HSD11B1OPRM1OPRK1OPRD1
SCHEMBL18408054 0.87 HSD11B1 (0.48) SIGMAR1HSD11B1OPRM1OPRK1OPRD1
SCHEMBL1206319 0.87 HSD11B1 (0.48) SIGMAR1HSD11B1OPRM1OPRK1OPRD1
SCHEMBL13846985 0.85 HSD11B1 (0.47) SIGMAR1HSD11B1OPRM1OPRK1OPRD1
SCHEMBL1206012 0.85 HSD11B1 (0.46) SIGMAR1HSD11B1OPRM1OPRK1OPRD1
SCHEMBL1207441 0.85 HSD11B1 (0.46) SIGMAR1HSD11B1OPRM1OPRK1OPRD1
SCHEMBL2576573 0.85 HSD11B1 (0.46) SIGMAR1HSD11B1OPRM1OPRK1OPRD1
SCHEMBL13753194 0.85 HSD11B1 (0.46) SIGMAR1HSD11B1OPRM1OPRK1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220048-B1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
EP-2220048-B1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
EP-2288596-B1 ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2016-11-30 EP disclosed
EP-2288596-B1 ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2016-11-30 EP disclosed
US-9073870-B2 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073870-B2 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073870-B2 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-8859580-B2 Aryl- and heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
US-8859580-B2 Aryl- and heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
US-8765780-B2 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-20140179669-A1 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-26 US disclosed
US-20140179669-A1 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-26 US disclosed
US-20140179669-A1 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-26 US disclosed
US-20110269791-A1 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269791-A1 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
EP-2245014-B1 UREA DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2011-11-02 EP disclosed
US-20110190262-A1 Aryl-and Heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 US disclosed
US-20110190262-A1 Aryl-and Heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 US disclosed
US-20110028445-A1 Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 US disclosed
US-20110028445-A1 Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140179669-A1 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use HSD11B1, CYP11B1, CYP46A1 SIGMAR1 723/4885HSD11B1 1/4885OPRM1 175/4885
US-20110028445-A1 Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use XDH, HSD11B1, HSD3B1 SIGMAR1 89/4885HSD11B1 2/4885OPRM1 21/4885
US-20110190262-A1 Aryl-and Heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use HSD3B1, CYP11B1, HSD11B1 SIGMAR1 287/4885HSD11B1 3/4885OPRM1 129/4885
US-20110269791-A1 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use HSD11B1, CYP46A1, HSD11B2 SIGMAR1 878/4885HSD11B1 1/4885OPRM1 235/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.