SCHEMBL2885956

SCHEMBL2885956

CCCCOc1ccc(C(=O)N(C)c2ccc(N3CCC4(CCN(C(=O)OC(C)(C)C)C4)C3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.47
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 2/20 0.41
TSHR P16473 3/20 0.40
HPGD P15428 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
USP2 O75604 1/20 0.39
MCHR1 Q99705 2/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL13025702 0.87 GPR119 (0.43) GPR119MAPTALDH1A1TSHRHSD17B10
SCHEMBL2885957 0.84 MAPT (0.44) GPR119MAPTALDH1A1HIF1ATSHR
SCHEMBL2886084 0.75 MAPT (0.45) GPR119MAPTALDH1A1HIF1ATSHR
SCHEMBL8663767 0.75 MAPT (0.50) GPR119MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL12532144 0.74 GPR119 (0.46) GPR119MAPTALDH1A1HIF1ATSHR
SCHEMBL20842160 0.74 GPR119 (0.57) GPR119MAPTALDH1A1HIF1ATSHR
SCHEMBL6785039 0.74 GPR119 (0.46) GPR119ALDH1A1KDM4E
SCHEMBL21963775 0.73 CYP11B2 (0.52) GPR119MAPTALDH1A1HIF1ATSHR
SCHEMBL4303345 0.73 CYP11B2 (0.52) GPR119MAPTALDH1A1HIF1ATSHR
SCHEMBL2886266 0.73 CYP11B2 (0.52) GPR119MAPTALDH1A1HIF1ATSHR

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 6 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-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
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
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
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

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-20070299077-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT GPR119 1212/4885MAPT 2703/4885ALDH1A1 324/4885
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT GPR119 1212/4885MAPT 2703/4885ALDH1A1 324/4885

“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.