SCHEMBL2001987

SCHEMBL2001987

O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)N(C(=O)c1ccccc1)CCS2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.54
CNR2 P34972 6/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 2/20 0.46
EPHX1 P07099 3/20 0.45
EPHX2 P34913 2/20 0.45
ATM Q13315 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.43
CNR1 P21554 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2003022 0.91 KDM4E (0.48) FAAHCNR2PKMPOLBMAPT
SCHEMBL1998538 0.91 MAPT (0.45) FAAHCNR2KMT2AATMPKM
SCHEMBL1999040 0.91 CNR2 (0.46) FAAHCNR2KMT2AMEN1PKM
SCHEMBL1996582 0.88 CNR2 (0.59) FAAHCNR2KMT2AMEN1EPHX2
SCHEMBL2000508 0.84 CNR2 (0.47) FAAHCNR2KMT2AMEN1TSHR
SCHEMBL2000046 0.84 CNR2 (0.47) FAAHCNR2KMT2AMEN1PKM
SCHEMBL1997394 0.81 CNR2 (0.54) FAAHCNR2PKMMAPTCNR1
SCHEMBL2001152 0.78 CNR1 (0.56) CNR2KMT2AMEN1TSHRL3MBTL1
SCHEMBL1998544 0.78 MAPT (0.57) KMT2AMEN1POLBMAPTKDM4E
SCHEMBL2001916 0.78 RAB9A (0.47) KMT2AMAPTKDM4EALDH1A1NPSR1

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 FAAH 5/4885CNR2 2/4885KMT2A 4507/4885

“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.