SCHEMBL2302899

SCHEMBL2302899

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
NR1H4 Q96RI1 2/20 0.48
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1F P30939 1/20 0.46
MCHR1 Q99705 6/20 0.45
MAPK14 Q16539 1/20 0.44
KMT2A Q03164 4/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 2/20 0.42
MCL1 Q07820 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 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
SCHEMBL2302964 0.89 MAPT (0.47) EPHX2NR1H4HTR1AHTR1DHTR1B
SCHEMBL2301580 0.85 EPHX2 (0.45) EPHX2NR1H4HTR1AHTR1DHTR1B
SCHEMBL2302418 0.79 EPHX2 (0.49) EPHX2NR1H4MCHR1MAPK14KMT2A
SCHEMBL2301633 0.76 USP30 (0.53) MCHR1ALDH1A1HSD17B10NPC1RAB9A
SCHEMBL2355236 0.75 RAB9A (0.50) MCHR1KMT2AMAPTALDH1A1NPC1
SCHEMBL5184527 0.75 ME3 (0.62) MCHR1KMT2AMAPTALDH1A1ALOX15
SCHEMBL2356889 0.74 P2RY12 (0.49) MCHR1KMT2AMAPTALDH1A1ALOX15
SCHEMBL2305436 0.74 RAB9A (0.43) EPHX2NR1H4MCHR1KMT2AMAPT
SCHEMBL2358446 0.73 ACKR3 (0.42) EPHX2NR1H4MCHR1KMT2AMAPT
SCHEMBL1663608 0.72 RAB9A (0.45) HTR1AHTR1DHTR1BHTR1FMAPK14

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
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
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.