SCHEMBL160560

SCHEMBL160560

CCOc1cc[c]c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.46
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.38
ESR2 Q92731 1/20 0.38
ESR1 P03372 2/20 0.37
AHR P35869 1/20 0.37
KDM4E B2RXH2 4/20 0.37
LTA4H P09960 1/20 0.36
CYP1A2 P05177 2/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL160643 0.84 KMT2A (0.41) MEN1KMT2ATSHRMAPTLTA4H
SCHEMBL9935427 0.83 NCF1 (0.44) MEN1KMT2ATSHRTDP1ALDH1A1
SCHEMBL161799 0.82 LTA4H (0.43) CYP3A4MEN1KMT2ANPC1TSHR
SCHEMBL15067112 0.81 NQO1 (0.48) NQO1CYP3A4TP53MEN1KMT2A
SCHEMBL27647098 0.80 PDIA6 (0.34) TP53MEN1KMT2ANPC1TSHR
SCHEMBL10474244 0.80 TSHR (0.50) TP53TSHRLTA4H
SCHEMBL1669927 0.80 TSHR (0.50) TP53TSHRLTA4H
SCHEMBL20240619 0.79 AR (0.45) TP53MEN1KMT2ANPC1TDP1
SCHEMBL128388 0.79 NQO1 (0.46) NQO1CYP3A4TP53MEN1KMT2A
SCHEMBL1225446 0.79 ALDH1A1 (0.44) CYP3A4TP53KMT2ATSHRALDH1A1

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 80 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-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 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-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists SB PHARMCO PUERTO RICO INC 2011-07-14 US claimed
EP-1618107-B1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORK LTD (IE) 2010-06-30 EP claimed
EP-2186813-A1 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SmithKline Beecham (Cork) Limited (IE) 2010-05-19 EP claimed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US claimed
JP-2007509174-A 2007-04-12 JP claimed
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists NEUROCRINE BIOSCIENCES, INC. 2007-01-04 US claimed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP claimed
EP-1611133-A1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC. CSC, The United States Corporation Company (PR) 2006-01-04 EP claimed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 US claimed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO claimed
WO-2004094420-A1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC (US) 2004-11-04 WO claimed
US-4058516-A DISAZO DYES SANDOZ LTD. (CH) 1977-11-15 US claimed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
EP-0338493-A2 Tetrahydro-4-phenylimino-3-thiophen-acetic acids Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1989-10-25 EP 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 (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-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists CRH, CRHR1, CRHR2 NQO1 1350/4885CYP3A4 1808/4885TP53 4696/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NQO1 3/4885CYP3A4 2444/4885TP53 4877/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NQO1 3/4885CYP3A4 2444/4885TP53 4877/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NQO1 3/4885CYP3A4 1137/4885TP53 4868/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NQO1 3/4885CYP3A4 1137/4885TP53 4868/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 NQO1 1405/4885CYP3A4 463/4885TP53 4782/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A NQO1 2776/4885CYP3A4 241/4885TP53 4622/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NQO1 3/4885CYP3A4 2444/4885TP53 4877/4885

“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.