SCHEMBL2301643

SCHEMBL2301643

CCn1ccc2ccc(NC(=O)c3ccc(N4CCNCC4)nc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
HDAC2 Q92769 6/20 0.47
HDAC3 O15379 4/20 0.47
TRPV1 Q8NER1 1/20 0.46
HPGDS O60760 1/20 0.46
HDAC1 Q13547 4/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
DYRK1A Q13627 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
MCHR1 Q99705 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 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
SCHEMBL2302418 0.86 EPHX2 (0.49) TRPV1SMN1; SMN2RAB9AL3MBTL1EPHX2
SCHEMBL2302167 0.83 EPHX2 (0.45) TRPV1SMN1; SMN2RAB9AL3MBTL1EPHX2
SCHEMBL2356889 0.83 P2RY12 (0.49) TRPV1SMN1; SMN2RAB9AL3MBTL1MCHR1
SCHEMBL2301633 0.83 USP30 (0.53) TRPV1SMN1; SMN2RAB9AL3MBTL1MCHR1
SCHEMBL2356871 0.83 TBK1 (0.50) TRPV1HDAC1SMN1; SMN2EPHX2NR1H4
SCHEMBL2303066 0.83 CHRM1 (0.48) TRPV1SMN1; SMN2RAB9AL3MBTL1EPHX2
SCHEMBL2305436 0.83 RAB9A (0.43) TRPV1SMN1; SMN2RAB9AL3MBTL1EPHX2
SCHEMBL2302915 0.83 KCNQ3 (0.46) HDAC2TRPV1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL2302884 0.81 EPHX2 (0.43) TRPV1SMN1; SMN2RAB9AL3MBTL1EPHX2
SCHEMBL2358506 0.81 EPHX2 (0.43) HDAC2TRPV1SMN1; SMN2RAB9AL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 KCNH2 1879/4885HDAC2 1730/4885HDAC3 1354/4885

“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.