SCHEMBL160027

SCHEMBL160027

[c]1cccc(OCCN2CCOCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
LTA4H P09960 1/20 0.55
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 3/20 0.51
TP53 P04637 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
HTR2A P28223 1/20 0.49
MAPK1 P28482 1/20 0.49
SCN1A P35498 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL3165091 0.93 HRH3 (0.58) KDM4EALDH1A1TSHRHTTCYP1A2
SCHEMBL1282982 0.86 LTA4H (0.58) LTA4HKDM4EALDH1A1HRH3
SCHEMBL3133916 0.86 LTA4H (0.55) NPC1RAB9ALTA4HKDM4EALDH1A1
SCHEMBL3141348 0.85 NPC1 (0.71) NPC1RAB9ALTA4HKDM4EALDH1A1
SCHEMBL1418831 0.85 LTA4H (0.56) LTA4HKDM4EALDH1A1HRH3
SCHEMBL3164063 0.84 MEN1 (0.56) NPC1RAB9ALTA4HKDM4EALDH1A1
SCHEMBL4231193 0.82 ALDH1A1 (0.51) RAB9ALTA4HKDM4EALDH1A1HTT
SCHEMBL4228635 0.82 LTA4H (0.55) LTA4HKDM4EALDH1A1HTTMAPK1
SCHEMBL20029 0.81 NPC1 (0.61) NPC1RAB9ALTA4HKDM4EALDH1A1
SCHEMBL6452945 0.81 NPC1 (0.79) NPC1RAB9ALTA4HKDM4EALDH1A1

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 110 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
US-9499558-B2 Compounds and methods for treating HIV PURDUE RESEARCH FOUNDATION (US) 2016-11-22 US claimed
US-20150225414-A1 COMPOUNDS AND METHODS FOR TREATING HIV NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-13 US claimed
US-9024038-B2 Compunds and methods for treating HIV PURDUE RESEARCH FOUNDATION (US) 2015-05-05 US claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
US-20130289067-A1 COMPOUNDS AND METHODS FOR TREATING HIV PURDUE RESEARCH FOUNDATION 2013-10-31 US claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
US-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS GARLAND STEPHEN 2006-10-05 US claimed
US-7109199-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US claimed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 US claimed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP claimed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 WO claimed
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP claimed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO claimed
US-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US claimed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP claimed
US-3978055-A SEDATIVE, ANTIINFLAMMATORY, VASODILATION, BRONCHODILATION DELALANDE S.A. (FR) 1976-08-31 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS ADK, PDXK, GPR119 NPC1 2297/4885RAB9A 2876/4885LTA4H 1476/4885
US-20150225414-A1 COMPOUNDS AND METHODS FOR TREATING HIV SERPINB1, HPN, DNPEP NPC1 275/4885RAB9A 3248/4885LTA4H 423/4885
US-20130289067-A1 COMPOUNDS AND METHODS FOR TREATING HIV SERPINB1, HPN, DNPEP NPC1 275/4885RAB9A 3248/4885LTA4H 423/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NPC1 123/4885RAB9A 1445/4885LTA4H 2761/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NPC1 123/4885RAB9A 1445/4885LTA4H 2761/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NPC1 174/4885RAB9A 1917/4885LTA4H 2984/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NPC1 174/4885RAB9A 1917/4885LTA4H 2984/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP NPC1 2215/4885RAB9A 2207/4885LTA4H 2800/4885

“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.