SCHEMBL1299748

SCHEMBL1299748

C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 1.00
OPRM1 P35372 7/20 1.00
OPRD1 P41143 7/20 1.00
OPRK1 P41145 7/20 1.00
MRGPRX2 Q96LB1 4/20 0.74
SLC22A1 O15245 1/20 0.52

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
SCHEMBL11710419 1.00 SIGMAR1 (1.00) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL13014950 1.00 SIGMAR1 (1.00) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL14619144 1.00 SIGMAR1 (1.00) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL972352 1.00 SIGMAR1 (1.00) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL13589886 1.00 SIGMAR1 (1.00) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL11487059 0.83 OPRD1 (0.71) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL18408052 0.82 OPRM1 (0.70) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL2909939 0.82 OPRM1 (0.70) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL1206232 0.82 OPRM1 (0.70) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL12894697 0.81 OPRM1 (0.68) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

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

For each of this compound's patents that has machine-readable text (2 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 723/4885OPRM1 175/4885OPRD1 96/4885
US-20110269791-A1 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use HSD11B1, CYP46A1, HSD11B2 SIGMAR1 878/4885OPRM1 235/4885OPRD1 99/4885

“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.