SCHEMBL1650839

SCHEMBL1650839

[CH2]CCN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.74
SIGMAR1 Q99720 2/20 0.67
HTR1A P08908 2/20 0.63
HTR7 P34969 1/20 0.63
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60

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
SCHEMBL2089938 0.91 KCNH2 (0.80) KCNH2SIGMAR1HTR1AHTR7
SCHEMBL2094039 0.87 KCNH2 (0.69) KCNH2SIGMAR1HTR1AHTR7SLC6A4
SCHEMBL30767216 0.87 KCNH2 (0.90) KCNH2SIGMAR1HTR1AHTR7SLC6A2
SCHEMBL4525555 0.85 KCNH2 (1.00) KCNH2SIGMAR1HTR1AHTR7
Hydrochloric Acid SCHEMBL7658247 0.85 KCNH2 (0.88) KCNH2SIGMAR1HTR1AHTR7SLC6A2
SCHEMBL1254408 0.85 KCNH2 (0.77) KCNH2SIGMAR1HTR1AHTR7
SCHEMBL4255352 0.84 KCNH2 (0.74) KCNH2SIGMAR1HTR1AHTR7
SCHEMBL30764776 0.84 KCNH2 (0.74) KCNH2SIGMAR1HTR1AHTR7
SCHEMBL7289093 0.84 KCNH2 (0.74) KCNH2SIGMAR1HTR1AHTR7
SCHEMBL8467046 0.84 KCNH2 (0.74) KCNH2SIGMAR1HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1208333-C Indole derivatives useful A.O. for the treatment of osteoporosis NIKEM RESEARCH SRL (IT) 2005-06-29 CN claimed
CN-1461216-A Compounds for use as medicaments for the treatment of disorders involving bronchoconstriction RESPIRATORIUS AB (SE) 2003-12-10 CN claimed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
CN-1208333-C Indole derivatives useful A.O. for the treatment of osteoporosis NIKEM RESEARCH SRL (IT) 2005-06-29 CN disclosed
US-20020099080-A1 Indole derivatives useful A.O. for the treatment of osteoporosis SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES 2002-07-25 US disclosed
EP-1187813-A1 AZOLYLBENZAMIDES AND ANALOGUES AND THEIR USE FOR TREATING OSTEOPOROSIS SMITHKLINE BEECHAM PLC (GB) 2002-03-20 EP disclosed
CN-1299357-A Indole derivatives useful A.O. for the treatment of osteoporosis SMITHKLINE BEECHAM LAB PHARMA (FR) 2001-06-13 CN disclosed
WO-2001000587-A1 AZOLYLBENZAMIDES AND ANALOGUES AND THEIR USE FOR TREATING OSTEOPOROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2001-01-04 WO disclosed
EP-1042316-A1 INDOLE DERIVATIVES USEFUL A.O. FOR THE TREATMENT OF OSTEOPOROSIS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 2000-10-11 EP disclosed
CN-1241184-A Indole derivatives for the treatment of osteoporosis SMITHKLINE BEECHAM SPA (IT) 2000-01-12 CN disclosed
WO-1999033822-A1 INDOLE DERIVATIVES USEFUL A.O. FOR THE TREATMENT OF OSTEOPOROSIS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1999-07-08 WO disclosed
US-5767275-A Preparation of triazolone compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 1998-06-16 US disclosed
EP-0668857-B1 PROCESS FOR THE PREPARATION OF TRIAZOLONE COMPOUNDS ACRAF (IT) 1998-02-25 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 (2 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-20020099080-A1 Indole derivatives useful A.O. for the treatment of osteoporosis SOST, NR3C2, EBP KCNH2 1696/4885SIGMAR1 85/4885HTR1A 300/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 KCNH2 3121/4885SIGMAR1 161/4885HTR1A 3561/4885

“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.