SCHEMBL2970418

SCHEMBL2970418

BrCCc1cc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.60
HRH3 Q9Y5N1 3/20 0.56
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
CHRNA7 P36544 2/20 0.49
AHR P35869 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
AOC3 Q16853 1/20 0.45

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
SCHEMBL30539520 1.00 LOXL2 (0.60) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL3272996 0.89 LOXL2 (0.56) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL7169246 0.87 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL31059889 0.87 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL30728863 0.85 LOXL2 (0.53) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL28335219 0.85 LOXL2 (0.67) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL2385292 0.83 LOXL2 (0.64) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL6860219 0.83 LOXL2 (0.64) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL29403791 0.83 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL401081 0.83 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAHR

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116472274-A Azetidine tryptamine and method of treating psychotic disorders 吉尔伽美什制药公司 2023-07-21 CN disclosed
US-9988377-B2 Small molecule inducers of GDNF as potential new therapeutics for neuropsychiatric disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-05 US disclosed
US-20150056699-A1 SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-02-26 US disclosed
WO-2013028999-A1 SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-02-28 WO disclosed
US-7767691-B2 Muscarinic acetylcholine receptor antagonists containing an azoniabiocyclo[2.2.1] heptane ring system GLAXO GROUP LIMITED (GB) 2010-08-03 US disclosed
WO-2010059711-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-05-27 WO disclosed
US-20080194618-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2008-08-14 US disclosed
EP-1937068-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-07-02 EP disclosed
US-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
WO-2007022351-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-22 WO disclosed
EP-1729756-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2006-12-13 EP disclosed
US-6979690-B2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC. (US) 2005-12-27 US disclosed
WO-2005094810-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2005-10-13 WO disclosed
US-20030207875-A1 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC 2003-11-06 US disclosed
EP-1325921-A2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators Pfizer Inc. (US) 2003-07-09 EP disclosed
EP-0061333-B1 9-(2-(3-INDOLYL)ETHYL)-1-OXA-4,9-DIAZASPIRO(5.5)UNDECAN-3-ONES SYNTEX (U.S.A.) INC. (US) 1986-01-02 EP disclosed
EP-0061333-A1 9-(2-(3-Indolyl)ethyl)-1-oxa-4,9-diazaspiro(5.5)undecan-3-ones SYNTEX (U.S.A.) INC. (US) 1982-09-29 EP disclosed
US-4332804-A TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIA, MIGRAINE, VASOSPASTIC DISORDERS AND ASTHMA SYNTEX (U.S.A.) INC. (US) 1982-06-01 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 (4 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-20080194618-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 LOXL2 1428/4885HRH3 108/4885MTNR1A 67/4885
US-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 LOXL2 4230/4885HRH3 1302/4885MTNR1A 180/4885
US-20030207875-A1 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators HRH4, HRH2, HTR4 LOXL2 1184/4885HRH3 23/4885MTNR1A 99/4885
US-20150056699-A1 SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS GFRA1, GFRA2, GFRA3 LOXL2 3949/4885HRH3 127/4885MTNR1A 82/4885

“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.