SCHEMBL2454980

SCHEMBL2454980

Cc1ccc(C(=O)NC2Cc3ccsc3C2)c(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.42
CHRM4 P08173 3/20 0.40
WDR5 P61964 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
LMNA P02545 1/20 0.38
SLC6A12 P48065 1/20 0.37
ACKR3 P25106 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2459809 0.88 RAB9A (0.40) CHRM4NPC1RAB9ALMNAADORA2A
SCHEMBL2079156 0.84 RAB9A (0.54) EGFRCHRM4NPC1RAB9ALMNA
SCHEMBL5438380 0.79 EGFR (0.51) EGFRNPC1RAB9ASLC6A12ACKR3
SCHEMBL3389897 0.79 MTNR1A (0.58) EGFRCHRM4WDR5NPC1RAB9A
SCHEMBL3395122 0.79 MTNR1A (0.58) EGFRCHRM4WDR5NPC1RAB9A
SCHEMBL3802112 0.77 MTNR1A (0.49) EGFRWDR5NPC1RAB9ALMNA
SCHEMBL2454974 0.77 NPC1 (0.43) NPC1RAB9ALMNASMN1; SMN2
SCHEMBL2458262 0.77 RAB9A (0.57) NPC1RAB9ASLC6A12SMN1; SMN2
SCHEMBL5431692 0.76 RAB9A (0.60) NPC1RAB9ALMNAACKR3ADORA2A
SCHEMBL5423494 0.76 RAB9A (0.60) NPC1RAB9ALMNAACKR3ADORA2A

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
EP-1534277-B1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-14 EP disclosed
EP-1534277-B1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-14 EP disclosed
CN-100337626-C Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals AVENTIS PHARMA GMBH (DE) 2007-09-19 CN disclosed
US-7105513-B2 Cardiovascular disorders; strokes; hypotensive agents SANOFI-AVERTIS DEUTSCHLAND GMBH (DE) 2006-09-12 US disclosed
CN-1674895-A Acylated, heteroaryl-fused cycloalkenylamines and their use as pharmaceuticals AVENTIS PHARMA GMBH (DE) 2005-09-28 CN disclosed
EP-1534277-A1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2005-06-01 EP disclosed
US-20040092513-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-13 US disclosed
WO-2004014372-A1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-19 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-20040092513-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals LIPG, AADAC, AANAT EGFR 970/4885CHRM4 548/4885WDR5 4505/4885

“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.