SCHEMBL255201

SCHEMBL255201

c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.86
BACE1 P56817 1/20 0.71
PSMB1 P20618 1/20 0.71
PSMB5 P28074 1/20 0.71
HRH3 Q9Y5N1 1/20 0.70
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69

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
Ammonia Solution, Strong SCHEMBL264615 0.98 LTA4H (0.83) LTA4HBACE1PSMB1PSMB5HRH3
SCHEMBL5870409 0.98 LTA4H (0.83) LTA4HBACE1PSMB1PSMB5HRH3
SCHEMBL3951411 0.98 LTA4H (0.83) LTA4HBACE1PSMB1PSMB5HRH3
Bromide SCHEMBL4827747 0.96 LTA4H (0.81) LTA4HBACE1PSMB1PSMB5HRH3
Hydrochloric Acid SCHEMBL8475600 0.96 LTA4H (0.81) LTA4HBACE1PSMB1PSMB5HRH3
SCHEMBL14500223 0.94 LTA4H (0.77) LTA4HBACE1PSMB1PSMB5HRH3
SCHEMBL7141714 0.93 LTA4H (1.00) LTA4HPSMB1PSMB5HRH3
SCHEMBL492205 0.90 HRH3 (0.84) LTA4HHRH3KDM4EALDH1A1SMN1; SMN2
Anisole SCHEMBL28200949 0.90 LTA4H (0.71) LTA4HBACE1PSMB1PSMB5HRH3
SCHEMBL1899201 0.89 LTA4H (1.00) LTA4HBACE1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060178-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER (US) 2003-09-03 EP claimed
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
CN-117285455-A 2-benzoyl indole compounds and application thereof 江苏开元药业有限公司 2023-12-26 CN disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-20210252011-A1 TREATMENT OF GLIOBLASTOMA WITH FASN INHIBITORS CORNELL UNIVERSITY 2021-08-19 US disclosed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2021-08-12 US disclosed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2011-11-24 US disclosed
US-20110071133-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-20100256394-A1 METHOD FOR THE PREPARATION OF LASOFOXIFENE ZENTIVA K.S. (CZ) 2010-10-07 US disclosed
US-20100256394-A1 METHOD FOR THE PREPARATION OF LASOFOXIFENE ZENTIVA K.S. (CZ) 2010-10-07 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-7183409-B2 Basic mono- and bisazo compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2007-02-27 US disclosed
US-7183409-B2 Basic mono- and bisazo compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2007-02-27 US disclosed
US-20030220377-A1 Indole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2003-11-27 US disclosed
US-4133814-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1979-01-09 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 (10 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-20110071133-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB2 LTA4H 4014/4885BACE1 2722/4885PSMB1 3593/4885
US-20100256394-A1 METHOD FOR THE PREPARATION OF LASOFOXIFENE SRD5A1, SRD5A2, CYP19A1 LTA4H 2007/4885BACE1 1041/4885PSMB1 1800/4885
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT LTA4H 2871/4885BACE1 1021/4885PSMB1 4495/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 LTA4H 2984/4885BACE1 1020/4885PSMB1 4455/4885
US-20030220377-A1 Indole compounds and their use as estrogen agonists/antagonists ESR1, GPER1, ESR2 LTA4H 1023/4885BACE1 2233/4885PSMB1 4354/4885
US-20210252011-A1 TREATMENT OF GLIOBLASTOMA WITH FASN INHIBITORS AIFM2, FABP7, FASN LTA4H 2557/4885BACE1 2321/4885PSMB1 3763/4885
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR LTA4H 3261/4885BACE1 3676/4885PSMB1 1895/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 LTA4H 2761/4885BACE1 1265/4885PSMB1 4621/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 LTA4H 2761/4885BACE1 1265/4885PSMB1 4621/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E LTA4H 2093/4885BACE1 1596/4885PSMB1 768/4885

“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.