SCHEMBL5456035

SCHEMBL5456035

Clc1ccc(Cc2nc(C3CCNCC3)cs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
CPT1A P50416 1/20 0.43
HTR6 P50406 1/20 0.39
HTR3A P46098 1/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
CETP P11597 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL10609560 0.86 GABRA1 (0.45) KMT2AMEN1HRH1
Hydrochloric Acid SCHEMBL10609506 0.85 GABRA1 (0.45) KMT2AMEN1HRH1
SCHEMBL2306940 0.79 CPT1A (0.46) RAB9AKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2306933 0.79 CPT1A (0.46) RAB9AKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3592969 0.79 GFER (0.49) RAB9AKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL21917001 0.75 HRH4 (0.42) RAB9AKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5764960 0.75 HTR6 (0.43) RAB9AALDH1A1NPC1HTR6HTR3A
SCHEMBL5766275 0.75 HTR6 (0.46) RAB9AKMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL6973095 0.73 HRH4 (0.56) RAB9AKMT2AALDH1A1MAPTNPC1
SCHEMBL5764697 0.72 HTR6 (0.39) RAB9AKMT2AALDH1A1NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294636-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-11-13 US disclosed
US-7294636-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-11-13 US disclosed
US-7294636-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-11-13 US disclosed
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-18 US disclosed
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-18 US disclosed
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-18 US disclosed
EP-1625120-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2006-02-15 EP disclosed
WO-2004099178-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-18 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 (1 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-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis CCR5, CCR2, CX3CR1 RAB9A 1597/4885KMT2A 4078/4885SMN1; SMN2 3999/4885

“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.