SCHEMBL1998538

SCHEMBL1998538

O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CCS2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
GAA P10253 2/20 0.45
CNR2 P34972 4/20 0.44
CNR1 P21554 1/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.43
FAAH O00519 2/20 0.43
STS P08842 2/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 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) MAPTCNR2CNR1KDM4EPKM
SCHEMBL1999040 0.90 CNR2 (0.46) MAPTCNR2CNR1KDM4ENPC1
SCHEMBL2003022 0.90 KDM4E (0.48) MAPTCNR2KDM4ENPC1RAB9A
SCHEMBL1996582 0.87 CNR2 (0.59) MAPTGAACNR2KDM4ENPC1
SCHEMBL2000046 0.83 CNR2 (0.47) MAPTGAACNR2CNR1KDM4E
SCHEMBL2000508 0.83 CNR2 (0.47) MAPTCNR2CNR1PKMFAAH
SCHEMBL2000817 0.83 CNR2 (0.67) MAPTGAACNR2CNR1KDM4E
SCHEMBL2003775 0.78 CNR1 (0.69) MAPTGAACNR2CNR1KDM4E
SCHEMBL1996799 0.78 MAPT (0.51) MAPTGAACNR2CNR1KDM4E
SCHEMBL1998056 0.78 MAPT (0.51) MAPTGAACNR2CNR1KDM4E

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 6 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-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
WO-2009035997-A2 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 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-20090075973-A1 BENZO-FUSED HETEROCYCLES CNR1, CNR2, TRPV1 MAPT 1743/4885GAA 2326/4885CNR2 2/4885

“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.