SCHEMBL1999040

SCHEMBL1999040

Cc1ccc(C(=O)N2CCSc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 9/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 3/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
CNR1 P21554 1/20 0.44
FAAH O00519 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL2001987 0.91 FAAH (0.54) CNR2PKMMAPTPOLBKMT2A
SCHEMBL1998538 0.90 MAPT (0.45) CNR2PKMMAPTSMN1; SMN2TP53
SCHEMBL2003022 0.90 KDM4E (0.48) CNR2PKMMAPTSMN1; SMN2TP53
SCHEMBL1996582 0.89 CNR2 (0.59) CNR2PKMMAPTTP53POLB
SCHEMBL2000508 0.85 CNR2 (0.47) CNR2PKMMAPTSMN1; SMN2POLB
SCHEMBL2000046 0.85 CNR2 (0.47) CNR2PKMMAPTSMN1; SMN2TP53
SCHEMBL1996990 0.79 MAPT (0.50) MAPTSMN1; SMN2TP53RAB9AKMT2A
SCHEMBL2001847 0.79 MAPT (0.50) MAPTSMN1; SMN2TP53RAB9AKMT2A
SCHEMBL2003675 0.78 ALDH1A1 (0.56) CNR2MAPTSMN1; SMN2TP53RAB9A
SCHEMBL1997619 0.76 MAPT (0.57) MAPTSMN1; SMN2TP53KMT2AALDH1A1

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
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US claimed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US 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-20090075973-A1 BENZO-FUSED HETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885PKM 3438/4885MAPT 1743/4885

“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.