SCHEMBL1690490

SCHEMBL1690490

CN(C(=O)c1cccc(CC(C)(C)C)c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
MDM2 Q00987 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54
KMT2A Q03164 4/20 0.51
KDM1A O60341 2/20 0.50
MAOA P21397 2/20 0.50
MEN1 O00255 1/20 0.50
MAOB P27338 1/20 0.50
KDM4E B2RXH2 1/20 0.48
PLAU P00749 1/20 0.47
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
ACACB O00763 1/20 0.45

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
SCHEMBL1690907 0.91 KMT2A (0.51) L3MBTL1HTTNPC1RAB9AALDH1A1
SCHEMBL1690955 0.89 HSD17B1 (0.44) L3MBTL1HTTNPC1RAB9AALDH1A1
SCHEMBL1690851 0.88 HSD17B2 (0.54) L3MBTL1HTTNPC1RAB9AALDH1A1
SCHEMBL1691659 0.88 L3MBTL1 (0.43) L3MBTL1HTTNPC1RAB9AALDH1A1
SCHEMBL1692020 0.88 KMT2A (0.51) L3MBTL1HTTNPC1RAB9AALDH1A1
SCHEMBL14039447 0.88 KMT2A (0.51) L3MBTL1HTTNPC1RAB9AALDH1A1
SCHEMBL1691672 0.85 MEN1 (0.52) L3MBTL1HTTNPC1RAB9AALDH1A1
SCHEMBL1692026 0.85 KMT2A (0.44) L3MBTL1HTTNPC1RAB9AALDH1A1
SCHEMBL1692092 0.85 NR1H3 (0.49) L3MBTL1HTTNPC1RAB9AALDH1A1
SCHEMBL1696343 0.84 L3MBTL1 (0.55) L3MBTL1HTTNPC1RAB9AALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 US disclosed
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-17 US disclosed
US-9079860-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 US disclosed
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 US disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 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 (5 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 L3MBTL1 2920/4885HTT 4237/4885NPC1 3968/4885
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 L3MBTL1 2920/4885HTT 4237/4885NPC1 3968/4885
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 L3MBTL1 2920/4885HTT 4237/4885NPC1 3968/4885
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 L3MBTL1 2920/4885HTT 4237/4885NPC1 3968/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 L3MBTL1 2920/4885HTT 4237/4885NPC1 3968/4885

“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.