SCHEMBL2347252

SCHEMBL2347252

O=C(c1cc2cc(F)ccc2[nH]1)N1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.76
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
HRH3 Q9Y5N1 1/20 0.71
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.62
KDM4E B2RXH2 2/20 0.59
PDPK1 O15530 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
APEX1 P27695 1/20 0.59
CYP2C19 P33261 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 2/20 0.59
FLT3 P36888 1/20 0.55

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
SCHEMBL2351433 0.99 HRH4 (0.78) HRH4NPC1RAB9AHRH3KMT2A
SCHEMBL603452 0.86 HRH4 (1.00) HRH4HRH3KMT2A
SCHEMBL2735825 0.86 HRH4 (0.72) HRH4NPC1RAB9AHRH3KMT2A
SCHEMBL27836005 0.85 MAPT (0.70) HRH4NPC1RAB9AHRH3KMT2A
SCHEMBL29259399 0.84 HRH4 (0.73) HRH4NPC1RAB9AHRH3KMT2A
SCHEMBL12334169 0.83 NPC1 (1.00) HRH4NPC1RAB9AHRH3KMT2A
SCHEMBL4999735 0.82 MAPT (0.64) HRH4NPC1RAB9AHRH3KMT2A
SCHEMBL4824070 0.82 HRH4 (0.66) HRH4NPC1RAB9AHRH3KMT2A
SCHEMBL2735943 0.82 HRH4 (0.70) HRH4NPC1RAB9AKMT2AMEN1
SCHEMBL377743 0.81 HRH4 (0.78) HRH4NPC1RAB9AHRH3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230110003-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) Valo Health, LLC 2023-04-13 US disclosed
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) VALO HEALTH, INC. (US) 2022-10-25 US disclosed
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
US-8008340-B2 3-arylthioindole-2-carboxamide derivatives and analogs thereof as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2011-08-30 US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 US disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 US disclosed
US-7838542-B2 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-11-23 US disclosed
US-7772216-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-08-10 US disclosed
EP-1791537-B1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2009-10-14 EP disclosed
US-7427608-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-09-23 US disclosed
US-7427608-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-09-23 US disclosed
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides OAKTREE FUND ADMINISTRATION, LLC 2008-01-03 US disclosed
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides OAKTREE FUND ADMINISTRATION, LLC 2008-01-03 US disclosed
WO-2008002674-A2 BICYCLIC COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-01-03 WO disclosed
US-20070142454-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
EP-1791537-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I Aventis Pharmaceuticals, Inc. (US) 2007-06-06 EP disclosed
WO-2006023590-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE Iϵ AVENTIS PHARMACEUTICALS INC. (US) 2006-03-02 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 (6 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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 HRH4 4178/4885NPC1 3928/4885RAB9A 3134/4885
US-20070142454-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I CSNK1A1, CSNK1E, CSNK1D HRH4 1593/4885NPC1 4223/4885RAB9A 3550/4885
US-20230110003-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT HRH4 2277/4885NPC1 322/4885RAB9A 2108/4885
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT HRH4 2277/4885NPC1 322/4885RAB9A 2108/4885
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides PTK2B, GRK2, FRK HRH4 1234/4885NPC1 696/4885RAB9A 2336/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 HRH4 3568/4885NPC1 3337/4885RAB9A 3205/4885

“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.