SCHEMBL2356871

SCHEMBL2356871

CCn1ccc2ccc(NC(=O)c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.50
WNT3A P56704 1/20 0.46
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
PTPN11 Q06124 1/20 0.43
HDAC1 Q13547 2/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
PGK1 P00558 1/20 0.42
DGAT1 O75907 3/20 0.42
GPR119 Q8TDV5 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
SCHEMBL2301643 0.83 KCNH2 (0.47) SMN1; SMN2MAPTTRPV1HDAC1EPHX2
SCHEMBL2302418 0.83 EPHX2 (0.49) SMN1; SMN2MAPTKMT2ATRPV1EPHX2
SCHEMBL2302167 0.82 EPHX2 (0.45) SMN1; SMN2MEN1MAPTKMT2ATRPV1
SCHEMBL2356889 0.82 P2RY12 (0.49) SMN1; SMN2MEN1MAPTTSHRKMT2A
SCHEMBL2303066 0.82 CHRM1 (0.48) SMN1; SMN2MEN1MAPTKMT2ATRPV1
SCHEMBL2302915 0.81 KCNQ3 (0.46) SMN1; SMN2MAPTTRPV1EPHX2NR1H4
SCHEMBL2358446 0.80 ACKR3 (0.42) SMN1; SMN2MEN1MAPTKMT2ATRPV1
SCHEMBL2305436 0.80 RAB9A (0.43) SMN1; SMN2MEN1MAPTKMT2ATRPV1
SCHEMBL2301633 0.80 USP30 (0.53) SMN1; SMN2TRPV1PTPN11DGAT1
SCHEMBL16560420 0.80 TBK1 (0.49) TBK1WNT3ADDB1CRBNSMN1; SMN2

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 TBK1 3789/4885WNT3A 3744/4885DDB1 2271/4885

“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.