SCHEMBL2103206

SCHEMBL2103206

C1CCC(C2CC[N]CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
SLC18A3 Q16572 1/20 0.31

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
SCHEMBL7851960 1.00 ALDH1A1 (0.53) ALDH1A1NOS1NOS2SLC18A3
SCHEMBL7845038 1.00 ALDH1A1 (0.53) ALDH1A1NOS1NOS2SLC18A3
SCHEMBL10672870 0.97 ALDH1A1 (0.57) ALDH1A1
SCHEMBL2105103 0.97 ALDH1A1 (0.57) ALDH1A1
SCHEMBL2105322 0.90 ALDH1A1 (0.47) ALDH1A1
SCHEMBL9821061 0.90 ALDH1A1 (0.47) ALDH1A1
SCHEMBL743899 0.86 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7853346 0.85 ALDH1A1 (0.44) ALDH1A1NOS1NOS2
SCHEMBL1366434 0.85 ALDH1A1 (0.44) ALDH1A1NOS1NOS2
SCHEMBL7856162 0.85 ALDH1A1 (0.44) ALDH1A1NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569588-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-08-04 US claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
US-20050203083-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US claimed
JP-2001509484-A 2001-07-24 JP claimed
EP-0994712-A1 INHIBITORS OF NEUTROPHIL MEDIATED OXIDANT PRODUCTION ELI LILLY AND COMPANY (US) 2000-04-26 EP claimed
WO-1999002163-A1 INHIBITORS OF NEUTROPHIL MEDIATED OXIDANT PRODUCTION ELI LILLY AND COMPANY (US) 1999-01-21 WO claimed
US-20160376240-A1 6 Phenyl or 6 Pyridin 3 YL Indazole Derivatives and Methods of Use ABBVIE INC. (US) 2016-12-29 US disclosed
EP-3097091-A1 6-PHENYL- OR 6-(PYRIDIN-3-YL)INDAZOLE DERIVATIVES AND METHODS OF USE AbbVie Inc. (US) 2016-11-30 EP disclosed
WO-2015112445-A1 6-PHENYL- OR 6-(PYRIDIN-3-YL)INDAZOLE DERIVATIVES AND METHODS OF USE ABBVIE INC. (US) 2015-07-30 WO disclosed
EP-1819667-B1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2012-10-17 EP disclosed
US-8163735-B2 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2012-04-24 US disclosed
US-7858792-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-12-28 US disclosed
US-5643925-A COGNITION ACTIVATORS AND NERVE GROWTH FACTORS SANKYO COMPANY, LIMITED (JP) 1997-07-01 US disclosed
US-5614521-A NERVE GROWTH FACTOR SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO disclosed
EP-0561639-A1 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 1993-09-22 EP disclosed
EP-0501656-A2 New benzene derivatives having (NGF) production-promoting activity Sankyo Company Limited (JP) 1992-09-02 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 (3 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R ALDH1A1 1731/4885NOS1 398/4885NOS2 350/4885
US-20160376240-A1 6 Phenyl or 6 Pyridin 3 YL Indazole Derivatives and Methods of Use MUSK, NTRK3, NTRK2 ALDH1A1 3074/4885NOS1 3758/4885NOS2 3520/4885
US-20050203083-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ALDH1A1 1670/4885NOS1 3292/4885NOS2 3908/4885

“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.