SCHEMBL2301002

SCHEMBL2301002

CCOC(=O)CCNC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(C)c(I)c3)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.50
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
USP30 Q70CQ3 3/20 0.43
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC1 Q13547 1/20 0.41
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
KDR P35968 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL3308028 0.92 P2RY12 (0.51) P2RY12MAPTKDM4EALDH1A1MAPK1
SCHEMBL2303041 0.90 P2RY12 (0.47) P2RY12MAPTKDM4ERAB9AL3MBTL1
SCHEMBL3310147 0.88 P2RY12 (0.49) P2RY12MAPTKDM4EALDH1A1MAPK1
SCHEMBL3311413 0.87 USP30 (0.53) P2RY12MAPTKDM4EALDH1A1MAPK1
SCHEMBL2303707 0.81 P2RY12 (0.52) P2RY12MAPTKDM4EALDH1A1MAPK1
SCHEMBL2304947 0.81 USP30 (0.56) P2RY12KDM4EALDH1A1HSD17B10USP30
SCHEMBL2357597 0.81 KDM4E (0.49) P2RY12MAPTKDM4EMAPK1RAB9A
SCHEMBL13363955 0.79 KCNQ3 (0.57) MAPTRAB9AL3MBTL1CYP1A2CYP2C19
SCHEMBL2305153 0.79 RAB9A (0.49) MAPTKDM4ERAB9AL3MBTL1CYP1A2
SCHEMBL2300969 0.78 TBK1 (0.52) MAPTRAB9AL3MBTL1HDAC1KMT2A

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 8 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
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

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 P2RY12 3457/4885MAPT 4008/4885KDM4E 3683/4885

“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.