SCHEMBL2885978

SCHEMBL2885978

c1ccc(CN2CCC3C2CCN3Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.54
GBA1 P04062 1/20 0.53
ACHE P22303 1/20 0.50
HTR1A P08908 2/20 0.49
NPY1R P25929 1/20 0.49
HTT P42858 1/20 0.49
NPY2R P49146 1/20 0.49
CCR3 P51677 1/20 0.48

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
SCHEMBL9595473 0.89 SIGMAR1 (0.50) SIGMAR1GBA1ACHEHTR1A
SCHEMBL3176956 0.84 HTR1A (0.51) SIGMAR1GBA1ACHEHTR1ANPY1R
SCHEMBL8301747 0.84 HTR1A (0.51) SIGMAR1GBA1ACHEHTR1ANPY1R
SCHEMBL1286725 0.81 SIGMAR1 (0.50) SIGMAR1GBA1ACHEHTR1A
SCHEMBL1286746 0.81 SIGMAR1 (0.50) SIGMAR1GBA1ACHEHTR1A
SCHEMBL10035310 0.81 ALDH1A1 (0.50) SIGMAR1ACHENPY1RHTTNPY2R
SCHEMBL1318062 0.80 LTA4H (0.52) SIGMAR1NPY1RHTTNPY2R
SCHEMBL8170360 0.80 HTR1A (0.65) SIGMAR1HTR1A
SCHEMBL8170356 0.80 HTR1A (0.65) SIGMAR1HTR1A
SCHEMBL4869898 0.79 GBA1 (0.58) SIGMAR1GBA1ACHECCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586609-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-11-19 US disclosed
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-25 US disclosed
US-7838528-B2 Substituted bicyclic 8-pyrrolidinoxanthines, methods for their production, pharmaceutical formulations and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-23 US disclosed
US-7838547-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-23 US disclosed
CN-101006091-B Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI AVENTIS DEUTSCHLAND 2010-09-15 CN disclosed
US-20070299077-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-27 US disclosed
CN-101006091-A Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI AVENTIS DEUTSCHLAND (DE) 2007-07-25 CN disclosed
US-20070167468-A1 SUBSTITUTED BICYCLIC 8-PYRR0LIDINOXANTHINES, METHODS FOR THEIR PRODUCTION, PHARMACEUTICAL FORMULATIONS AND THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-19 US disclosed
EP-1781663-A2 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2007-05-09 EP disclosed
EP-1776372-A1 SUBSTITUTED, BICYCLIC 8-PYRROLIDINOXANTHINES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2007-04-25 EP disclosed
WO-2006018280-A2 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-23 WO disclosed
WO-2006015701-A1 SUBSTITUTED, BICYCLIC 8-PYRROLIDINOXANTHINES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-16 WO disclosed
US-5179090-A Antiischemic agents; treatment of asthma, bronchitis, heart diseases DR. KARL THOMAE GMBH (DE) 1993-01-12 US disclosed
EP-0417630-A2 Condensed diazepinones, process for their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1991-03-20 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-20070167468-A1 SUBSTITUTED BICYCLIC 8-PYRR0LIDINOXANTHINES, METHODS FOR THEIR PRODUCTION, PHARMACEUTICAL FORMULATIONS AND THEIR USE GPR119, INSR, GCKR SIGMAR1 4325/4885GBA1 1494/4885ACHE 3555/4885
US-20070299077-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT SIGMAR1 251/4885GBA1 1161/4885ACHE 1269/4885
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT SIGMAR1 251/4885GBA1 1161/4885ACHE 1269/4885

“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.