SCHEMBL2842015

SCHEMBL2842015

O=C(CC1CCCCCC1)NCc1cc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2Cl)s1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
EPHX2 P34913 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 8/20 0.40
CNR2 P34972 1/20 0.40
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL2844359 0.94 RAB9A (0.54) RAB9ANPC1EPHX2CNR1CNR2
SCHEMBL2840753 0.87 HPGD (0.42) EPHX2CNR1CNR2HPGD
SCHEMBL2846735 0.82 CNR1 (0.38) NPC1EPHX2CNR1CNR2
SCHEMBL2846311 0.81 CNR1 (0.45) EPHX2CNR1CNR2HPGD
SCHEMBL2844282 0.78 CNR1 (0.46) RAB9ANPC1KMT2ACNR1ERCC1
SCHEMBL2843625 0.76 CNR1 (0.38) CNR1CNR2HPGD
SCHEMBL2843546 0.76 CNR1 (0.38) CNR1CNR2
SCHEMBL2851101 0.76 CNR1 (0.42) RAB9ANPC1CNR1CNR2RECQL
SCHEMBL2847010 0.73 GCG (0.47) RAB9AEPHX2KMT2ACNR1CNR2
SCHEMBL2842206 0.73 HPGD (0.46) EPHX2CNR1CNR2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687537-B2 N-[(4,5-diphenyl-2-thienyl)methyl]amine derivatives, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2010-03-30 US claimed
US-20080009543-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2008-01-10 US claimed
EP-1858872-A1 DERIVATIVES OF N-[(4,5-DIPHENYL-3-ALKYL-2-THIENYL) METHYL] AMINE (AMIDE, THIOUREA AND UREA) AS CANNABINOID CB1 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2007-11-28 EP claimed
WO-2006084975-A1 DERIVATIVES OF N-[(4,5-DIPHENYL-3-ALKYL-2-THIENYL) METHYL] AMINE (AMIDE, THIOUREA AND UREA) AS CANNABINOID CB1 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2006-08-17 WO claimed
US-20100137402-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
US-7687537-B2 N-[(4,5-diphenyl-2-thienyl)methyl]amine derivatives, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2010-03-30 US disclosed
US-20080009543-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2008-01-10 US disclosed
EP-1858872-A1 DERIVATIVES OF N-[(4,5-DIPHENYL-3-ALKYL-2-THIENYL) METHYL] AMINE (AMIDE, THIOUREA AND UREA) AS CANNABINOID CB1 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2007-11-28 EP disclosed
WO-2006084975-A1 DERIVATIVES OF N-[(4,5-DIPHENYL-3-ALKYL-2-THIENYL) METHYL] AMINE (AMIDE, THIOUREA AND UREA) AS CANNABINOID CB1 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2006-08-17 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-20080009543-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION CNR1, CNR2, GPR18 RAB9A 2055/4885NPC1 886/4885EPHX2 931/4885
US-20100137402-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION CNR1, CNR2, GPR18 RAB9A 2055/4885NPC1 886/4885EPHX2 931/4885

“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.