SCHEMBL1207004

SCHEMBL1207004

COc1ccc2c(c1)C1CCNC2C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTR2C P28335 4/20 0.45
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR2B P41595 2/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL16408625 0.82 CHRNB2 (0.45) MEN1KMT2AHTR2CCHRNB2CHRNA4
SCHEMBL21499087 0.82 CHRNB2 (0.45) MEN1KMT2AHTR2CCHRNB2CHRNA4
SCHEMBL21499090 0.82 CHRNB2 (0.45) MEN1KMT2AHTR2CCHRNB2CHRNA4
SCHEMBL18100588 0.82 CHRNB2 (0.45) MEN1KMT2AHTR2CCHRNB2CHRNA4
SCHEMBL31136700 0.81 CHRNB2 (0.44) MEN1KMT2ACHRNB2CHRNA7CHRNA4
SCHEMBL31136853 0.81 CHRNB2 (0.44) MEN1KMT2ACHRNB2CHRNA7CHRNA4
SCHEMBL31137548 0.76 CHRNB2 (0.50) HTR2CCHRNB2CHRNA4HTR2BHTR2A
SCHEMBL31136761 0.76 CHRNB2 (0.50) HTR2CCHRNB2CHRNA4HTR2BHTR2A
SCHEMBL12105263 0.76 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4TMEM97
SCHEMBL9550016 0.75 MEN1 (0.40) MEN1KMT2AHTR2CCHRNB2CHRNB4

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 27 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-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-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-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
WO-2009138386-A2 ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed
WO-2009100872-A1 UREA DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-20 WO disclosed
WO-2009063061-A2 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
US-5594002-A Benzazabicyclic carbamates as novel cholinesterase inhibitors PFIZER INC (US) 1997-01-14 US disclosed
US-5387590-A Benzazabicyclic carbamates as novel cholinesterase inhibitors PFIZER INC. (US) 1995-02-07 US disclosed
WO-1991003467-A1 BENZAZABICYCLIC CARBAMATES AS NOVEL CHOLINESTERASE INHIBITORS PFIZER INC. (US) 1991-03-21 WO disclosed
EP-0415634-A2 Benzazabicyclic carbamates as cholinesterase inhibitors PFIZER INC. (US) 1991-03-06 EP 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-20110028445-A1 Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use XDH, HSD11B1, HSD3B1 MEN1 4328/4885KMT2A 4211/4885HTR2C 746/4885
US-20110190262-A1 Aryl-and Heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use HSD3B1, CYP11B1, HSD11B1 MEN1 4593/4885KMT2A 3168/4885HTR2C 363/4885

“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.