SCHEMBL4693545

SCHEMBL4693545

O=C(Cc1ccccc1)NC1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.71
SIGMAR1 Q99720 10/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 1/20 0.60
ME3 Q16798 1/20 0.56
OPRM1 P35372 1/20 0.55
OPRL1 P41146 1/20 0.55
LMNA P02545 1/20 0.54

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
SCHEMBL34468338 0.90 EPHX2 (0.62) EPHX2SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL30718482 0.90 EPHX2 (0.62) EPHX2SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL15055182 0.90 EPHX2 (0.62) EPHX2SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL2469256 0.88 EPHX2 (0.83) EPHX2SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL6009189 0.86 EPHX2 (0.61) EPHX2SIGMAR1
SCHEMBL2753089 0.84 EPHX2 (0.96) EPHX2SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL5049597 0.84 EPHX2 (0.90) EPHX2SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL652791 0.84 LMNA (0.79) EPHX2SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL16825757 0.84 SIGMAR1 (0.58) EPHX2SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL3638096 0.84 SIGMAR1 (0.58) EPHX2SIGMAR1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148518-B1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PRIVATE LTD (IN) 2022-11-30 EP disclosed
US-10207993-B2 Compounds as anti-tubercular agents SPHAERA PHARMA PVT. LTD. (IN) 2019-02-19 US disclosed
US-20170334851-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2017-11-23 US disclosed
US-20170183305-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2017-06-29 US disclosed
US-8772319-B2 Diagnostic and therapeutic alkyl piperidine/piperazine compounds and process THE GENERAL HOSPITAL CORPORATION (US) 2014-07-08 US disclosed
US-20120208847-A1 Diagnostic and Therapeutic Alkyl Piperidine/Piperazine Compounds and Process THE GENERAL HOSPITAL CORPORATION (US) 2012-08-16 US disclosed
US-8114379-B2 Diagnostic and therapeutic alkyl piperidine/piperazine compounds and process THE GENERAL HOSPITAL CORPORATION (US) 2012-02-14 US disclosed
CN-100591679-C Benzimidazole, benzthiazole and benzoxazole derivatives and their use as lta4h modulators JANSSEN PHARMACEUTICA NV 2010-02-24 CN disclosed
US-20090191125-A1 Diagnostic and Therapeutic Alkyl Piperidine/Piperazine Compounds and Process THE GENERAL HOSPITAL CORPORATION (US) 2009-07-30 US disclosed
WO-2008100564-A1 LTA4H MODULATORS AND USES THEROF JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO disclosed
WO-2005012297-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO disclosed
WO-2005012296-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO disclosed
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
CN-1330637-A Compounds useful in treatment of infammatory diseases GLAXO GROUP LTD (GB) 2002-01-09 CN disclosed
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP disclosed
WO-2000071171-A2 SIGMA-1 LIGANDS FOR DETERMINING CARCINOMA PROLIFERATIVE STATUS WAKE FOREST UNIVERSITY (US) 2000-11-30 WO disclosed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 WO disclosed
EP-0064255-B1 BENZOPYRANYL ETHERS, PROCESS FOR THEIR PREPARATION AND MEDICINE CONTAINING THOSE COMPOUNDS AND INTERMEDIATES Roche Diagnostics GmbH (DE) 1984-12-12 EP disclosed
US-4428955-A ALLERGIC DISEASES BOEHRINGER MANNHEIM GMBH (DE) 1984-01-31 US disclosed
EP-0064255-A1 Benzopyranyl ethers, process for their preparation and medicine containing those compounds and intermediates Roche Diagnostics GmbH (DE) 1982-11-10 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 (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-10207993-B2 Compounds as anti-tubercular agents FNTB, G6PD, PGGT1B EPHX2 2847/4885SIGMAR1 2089/4885MEN1 2815/4885
US-20090191125-A1 Diagnostic and Therapeutic Alkyl Piperidine/Piperazine Compounds and Process NR2E3, DRD2, HCRTR1 EPHX2 2419/4885SIGMAR1 16/4885MEN1 4462/4885
US-20170334851-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS FNTB, PGGT1B, GGPS1 EPHX2 2995/4885SIGMAR1 1761/4885MEN1 3373/4885
US-20120208847-A1 Diagnostic and Therapeutic Alkyl Piperidine/Piperazine Compounds and Process SNCA, NLN, DRD2 EPHX2 4319/4885SIGMAR1 521/4885MEN1 4030/4885
US-20170183305-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS FNTB, PGGT1B, GGPS1 EPHX2 2995/4885SIGMAR1 1761/4885MEN1 3373/4885

“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.