SCHEMBL2303299

SCHEMBL2303299

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.56
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
PANK3 Q9H999 1/20 0.55
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPK1 P28482 2/20 0.54
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 1/20 0.54
DDB1 Q16531 1/20 0.52
CRBN Q96SW2 1/20 0.52
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
PTPN11 Q06124 1/20 0.50

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
SCHEMBL2304120 0.88 TBK1 (0.53) TBK1MAPTSMN1; SMN2MEN1TSHR
SCHEMBL26633205 0.84 HRH3 (0.59) TBK1MAPTSMN1; SMN2MEN1TSHR
SCHEMBL30385900 0.84 HRH3 (0.59) TBK1MAPTSMN1; SMN2MEN1TSHR
SCHEMBL2300969 0.84 TBK1 (0.52) TBK1MAPTSMN1; SMN2MEN1TSHR
SCHEMBL2357924 0.84 TBK1 (0.52) TBK1MAPTSMN1; SMN2MEN1TSHR
SCHEMBL21419313 0.83 HPGD (0.59) SMN1; SMN2PANK3MEN1KMT2AKDM4E
SCHEMBL25183161 0.83 TBK1 (0.58) TBK1MAPTSMN1; SMN2MEN1TSHR
Hydrochloric Acid SCHEMBL30385477 0.83 HRH3 (0.58) TBK1MAPTSMN1; SMN2MEN1TSHR
SCHEMBL31185132 0.83 TBK1 (0.58) TBK1MAPTSMN1; SMN2MEN1TSHR
SCHEMBL3643274 0.82 TBK1 (0.53) TBK1MAPTSMN1; SMN2MEN1TSHR

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 3789/4885MAPT 4008/4885SMN1; SMN2 4749/4885

“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.