SCHEMBL2301580

SCHEMBL2301580

CCn1ccc2ccc(NC(=O)c3ccc(N4CCC(C(=O)NS(=O)(=O)C(C)(C)C)CC4)cc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
NR1H4 Q96RI1 2/20 0.45
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1F P30939 1/20 0.41
ACKR3 P25106 5/20 0.40
MAPK14 Q16539 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
MAP3K5 Q99683 2/20 0.39
TP53 P04637 2/20 0.38
KMT2A Q03164 2/20 0.38
MCHR1 Q99705 1/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL2358446 0.88 ACKR3 (0.42) EPHX2NR1H4ACKR3MAPTLMNA
SCHEMBL2302899 0.85 EPHX2 (0.48) EPHX2NR1H4HTR1AHTR1DHTR1B
SCHEMBL2302964 0.82 MAPT (0.47) EPHX2NR1H4HTR1AHTR1DHTR1B
SCHEMBL3637762 0.73 GPR119 (0.53) EPHX2LMNAKMT2AUSP2
SCHEMBL2302418 0.71 EPHX2 (0.49) EPHX2NR1H4MAPK14MAPTKMT2A
SCHEMBL3637765 0.70 GFER (0.43) EPHX2MAPTLMNAKMT2AALDH1A1
SCHEMBL2301633 0.70 USP30 (0.53) LMNAMCHR1HSD17B10ALDH1A1
SCHEMBL2356889 0.68 P2RY12 (0.49) MAPTLMNAKMT2AMCHR1HSD17B10
SCHEMBL2355292 0.67 ACKR3 (0.43) ACKR3MAPTKMT2AMCHR1ALDH1A1
SCHEMBL2303343 0.67 ACKR3 (0.43) ACKR3MAPTKMT2AMCHR1ALDH1A1

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 10 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
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
CN-102203280-A Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS INC 2011-09-28 CN 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
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US 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 EPHX2 1344/4885NR1H4 761/4885HTR1A 3233/4885

“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.