SCHEMBL2535536

SCHEMBL2535536

COc1ccc(C(=O)N2CCCCC2)cc1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.96
ALDH1A1 P00352 8/20 0.71
SMN1; SMN2 Q16637 4/20 0.69
L3MBTL1 Q9Y468 4/20 0.67
MAPT P10636 1/20 0.67
KDM4E B2RXH2 1/20 0.66
POLB P06746 2/20 0.65
ALOX15 P16050 1/20 0.65
HTT P42858 1/20 0.65
GAA P10253 1/20 0.65
TP53 P04637 1/20 0.64
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
GRM5 P41594 1/20 0.63
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62

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
Hydrochloric Acid SCHEMBL5213430 0.98 HPGD (0.93) HPGDALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL2534411 0.98 HPGD (1.00) HPGDALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL14019821 0.95 HPGD (0.87) HPGDALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL31497563 0.91 HPGD (0.79) HPGDALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL20631562 0.91 HPGD (0.86) HPGDALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL7132525 0.84 HPGD (1.00) HPGDALDH1A1L3MBTL1MAPTCA12
SCHEMBL27479149 0.84 HPGD (1.00) HPGDALDH1A1L3MBTL1MAPTCA12
SCHEMBL2097647 0.84 HPGD (0.74) HPGDALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL10053023 0.84 HPGD (0.75) HPGDALDH1A1L3MBTL1MAPTPOLB
SCHEMBL28474010 0.84 HPGD (0.75) HPGDALDH1A1SMN1; SMN2L3MBTL1KDM4E

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 20 patents. 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
CN-112592310-B 2-hydroxypyridine compound and synthetic method thereof 南京工业大学 2022-04-29 CN disclosed
CN-112592310-A 2-hydroxypyridine compound and synthetic method thereof 南京工业大学 2021-04-02 CN disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
EP-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 WO disclosed
US-5719303-A USEFUL FOR MEDICALLY TREATING HYPERLIPEMIA EISAI CO., LTD. (JP) 1998-02-17 US disclosed
EP-0688325-A1 PHOSPHONIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1995-12-27 EP disclosed
WO-1994020508-A1 PHOSPHONIC ACID DERIVATIVES EISAI CO., LTD. (JP) 1994-09-15 WO disclosed
US-4432984-A Anti-hypertensive benzodioxan derivatives Bouchara, Emile (FR) 1984-02-21 US disclosed
EP-0014295-B1 BENZODIOXAN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL APPLICATIONS Bouchara, Emile Dr. (FR) 1983-01-19 EP disclosed
EP-0014295-A1 Benzodioxan derivatives, process for their preparation and their therapeutical applications Bouchara, Emile Dr. (FR) 1980-08-20 EP disclosed
US-4078139-A Process for deoxygenating secondary alcohols SCHERING CORPORATION (US) 1978-03-07 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 HPGD 118/4885ALDH1A1 2293/4885SMN1; SMN2 2832/4885
US-20230110003-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT HPGD 105/4885ALDH1A1 265/4885SMN1; SMN2 2010/4885
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT HPGD 105/4885ALDH1A1 265/4885SMN1; SMN2 2010/4885
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 HPGD 477/4885ALDH1A1 3756/4885SMN1; SMN2 3569/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 HPGD 345/4885ALDH1A1 2837/4885SMN1; SMN2 3448/4885

“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.