SCHEMBL159557

SCHEMBL159557

[c]1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 5/20 0.62
PSMB5 P28074 5/20 0.62
PSMB2 P49721 4/20 0.62
LTA4H P09960 12/20 0.60
HRH3 Q9Y5N1 2/20 0.60
PTGS2 P35354 3/20 0.58
KDM4E B2RXH2 1/20 0.58
PTGS1 P23219 1/20 0.58

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
SCHEMBL5114639 0.98 PSMB1 (0.65) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL188519 0.98 PSMB1 (0.65) PSMB1PSMB5PSMB2LTA4HHRH3
Hydrochloric Acid SCHEMBL7819689 0.98 PSMB1 (0.60) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL3165031 0.91 HRH3 (0.67) HRH3KDM4E
SCHEMBL3144386 0.90 HRH3 (0.71) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL2180987 0.89 HRH3 (0.70) HRH3
SCHEMBL183199 0.86 LTA4H (0.59) LTA4HHRH3KDM4E
SCHEMBL182574 0.85 HRH3 (0.69) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL182770 0.84 ALDH1A1 (0.57) LTA4HKDM4E
SCHEMBL20029 0.84 NPC1 (0.61) LTA4HHRH3KDM4E

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 171 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
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP claimed
US-7776867-B2 Furanopyrimidines AMGEN INC. (US) 2010-08-17 US claimed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US claimed
EP-1289985-B1 BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE ORTHO MCNEIL PHARM INC (US) 2003-12-10 EP claimed
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-20 US claimed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO claimed
US-20030166641-A1 Beta-carboline derivatives useful as inhibitors of phosphodiesterase SUI ZHIHUA (US) 2003-09-04 US claimed
WO-2003053977-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-07-03 WO claimed
EP-1289985-A2 BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-12 EP claimed
US-6492358-B2 FOR TREATMENT OF SEXUAL DISORDERS, MALE ERECTILE DYSFUNCTION ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-10 US claimed
US-20020010189-A1 beta-carboline derivatives useful as inhibitors of phosphodiesterase ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US claimed
WO-2001087038-A2 β-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO 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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 PSMB1 3882/4885PSMB5 3995/4885PSMB2 3302/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 PSMB1 4621/4885PSMB5 4361/4885PSMB2 4434/4885
US-20020010189-A1 beta-carboline derivatives useful as inhibitors of phosphodiesterase PDE3B, PDE5A, PDE3A PSMB1 1537/4885PSMB5 1021/4885PSMB2 2036/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 PSMB1 4621/4885PSMB5 4361/4885PSMB2 4434/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR PSMB1 1278/4885PSMB5 833/4885PSMB2 1340/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 PSMB1 4455/4885PSMB5 4005/4885PSMB2 4235/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 PSMB1 4455/4885PSMB5 4005/4885PSMB2 4235/4885
US-20030166641-A1 Beta-carboline derivatives useful as inhibitors of phosphodiesterase PDE3B, PDE5A, PDE3A PSMB1 1537/4885PSMB5 1021/4885PSMB2 2036/4885

“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.