SCHEMBL2459809

SCHEMBL2459809

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
CHRM4 P08173 7/20 0.38
ADORA2A P29274 2/20 0.37
ADORA1 P30542 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KMT2A Q03164 1/20 0.35
FAAH O00519 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL2454980 0.88 EGFR (0.42) RAB9ANPC1LMNACHRM4ADORA2A
SCHEMBL2454974 0.79 NPC1 (0.43) RAB9ANPC1LMNAKMT2AALDH1A1
SCHEMBL2456151 0.78 ATM (0.42) RAB9ANPC1LMNACHRM4CNR1
SCHEMBL2458764 0.78 HDAC1 (0.48) RAB9ANPC1LMNAKMT2AALDH1A1
SCHEMBL2454948 0.78 CNR1 (0.48) RAB9ANPC1LMNACHRM4CNR1
SCHEMBL2456751 0.77 CHRM4 (0.39) CHRM4ADORA2AALDH1A1
SCHEMBL2460022 0.76 CHRM4 (0.48) RAB9ANPC1LMNACHRM4CNR1
SCHEMBL3797883 0.76 MTNR1A (0.51) RAB9ANPC1LMNAADORA2ACNR1
SCHEMBL2456117 0.73 HPGD (0.46) RAB9ANPC1LMNAKMT2AALDH1A1
SCHEMBL2458262 0.73 RAB9A (0.57) RAB9ANPC1KMT2AALDH1A1POLB

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 7 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
US-7105513-B2 Cardiovascular disorders; strokes; hypotensive agents SANOFI-AVERTIS DEUTSCHLAND GMBH (DE) 2006-09-12 US 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
EP-1388342-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals Aventis Pharma Deutschland GmbH (DE) 2004-02-11 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 (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 RAB9A 4422/4885NPC1 646/4885LMNA 2549/4885

“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.