SCHEMBL89205

SCHEMBL89205

COCCOc1cc(OC)cc(C(=O)OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
RECQL P46063 1/20 0.51
KDM4E B2RXH2 4/20 0.49
GAA P10253 2/20 0.49
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
ALDH1A1 P00352 4/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL2809253 0.95 MAPT (0.59) MAPTRAB9ANPC1RECQLKDM4E
SCHEMBL89656 0.92 RAB9A (0.50) MAPTRAB9ANPC1RECQLKDM4E
SCHEMBL89596 0.92 RAB9A (0.50) MAPTRAB9ANPC1RECQLKDM4E
SCHEMBL38987 0.91 MAPT (0.59) MAPTRAB9AKDM4EGAACA1
SCHEMBL12733610 0.90 MAPT (0.54) MAPTRAB9ANPC1RECQLKDM4E
SCHEMBL14811909 0.87 MAPT (0.50) MAPTRAB9ANPC1RECQLKDM4E
SCHEMBL3490269 0.86 MAPT (0.53) MAPTRAB9ANPC1RECQLKDM4E
SCHEMBL9071285 0.86 SMPD1 (0.56) MAPTRAB9ANPC1KDM4ECA1
SCHEMBL38560 0.86 MAPT (0.54) MAPTRAB9ANPC1RECQLKDM4E
SCHEMBL10268140 0.85 PLA2G2A (0.55) MAPTRAB9ANPC1RECQLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3292110-B1 N-PIPERIDIN-4-YL DERIVATIVES MERCK SHARP & DOHME (NL) 2019-08-21 EP disclosed
EP-3292110-A1 N-PIPERIDIN-4-YL DERIVATIVES Merck Sharp & Dohme B.V. (NL) 2018-03-14 EP disclosed
US-8993757-B2 N-piperidin-4-yl derivatives MERCK SHARP & DOHME B.V. (NL) 2015-03-31 US disclosed
US-20140329822-A1 N-PIPERIDIN-4-YL DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2014-11-06 US disclosed
WO-2013041457-A1 N-PIPERIDIN-4-YL DERIVATIVES MSD OSS B.V. (NL) 2013-03-28 WO disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 WO 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 (3 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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE MAPT 1266/4885RAB9A 639/4885NPC1 3663/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 MAPT 1089/4885RAB9A 500/4885NPC1 2676/4885
US-20140329822-A1 N-PIPERIDIN-4-YL DERIVATIVES PGR, CYP19A1, BRCA1 MAPT 4046/4885RAB9A 1611/4885NPC1 2207/4885

“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.