SCHEMBL271114

SCHEMBL271114

OCCCCCc1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.63
NAAA Q02083 1/20 0.52
CA2 P00918 2/20 0.48
LOXL2 Q9Y4K0 2/20 0.48
HRH3 Q9Y5N1 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
MAPK14 Q16539 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TBXAS1 P24557 1/20 0.39

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
SCHEMBL5540660 1.00 HRH1 (0.63) HRH1NAAACA2LOXL2HRH3
Hydrochloric Acid SCHEMBL7424038 0.98 HRH1 (0.61) HRH1NAAACA2LOXL2HRH3
SCHEMBL4444401 0.98 HRH1 (0.59) HRH1NAAACA2LOXL2HRH3
Hydrochloric Acid SCHEMBL28059639 0.95 HRH1 (0.57) HRH1NAAACA2LOXL2HRH3
SCHEMBL279761 0.91 HRH1 (0.56) HRH1NAAACA2LOXL2HRH3
SCHEMBL26116262 0.88 HRH1 (0.54) HRH1NAAACA2LOXL2HRH3
SCHEMBL2841394 0.88 HRH1 (0.77) HRH1NAAALOXL2HRH3HRH4
SCHEMBL725306 0.88 HRH1 (0.77) HRH1NAAALOXL2HRH3HRH4
SCHEMBL4413800 0.88 HRH1 (0.77) HRH1NAAALOXL2HRH3HRH4
SCHEMBL726645 0.85 HRH1 (0.73) HRH1NAAALOXL2HRH3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9455177-B1 Contact hole formation methods DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-27 US disclosed
WO-2016123146-A1 BRIDGED COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2016-08-04 WO disclosed
EP-3050888-A1 Compounds for the treatment of bacterial infections Merck Sharp & Dohme Corp. (US) 2016-08-03 EP disclosed
US-20150313891-A1 NEURONAL NICOTINIC AGONISTS AND METHODS OF USE ABBVIE INC. 2015-11-05 US disclosed
EP-2099795-B1 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBVIE BAHAMAS LTD (BS) 2015-08-19 EP disclosed
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES 2015-06-11 US disclosed
US-8987453-B2 Azaadamantane derivatives and methods of use ABBVIE INC. (US) 2015-03-24 US disclosed
EP-2231672-B1 BIARYL SUBSTITUTED DIAZABICYCLOHEPTANE DERIVATIVES AS nAChR MODULATORS ABBVIE INC (US) 2014-12-17 EP disclosed
US-8853241-B2 Biaryl substituted azabicyclic alkane derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO disclosed
US-5973156-A Piperidine and tetrahydropyridine derivatives MERCK SHARP & DOME LTD. (GB) 1999-10-26 US disclosed
US-5849764-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 1998-12-15 US disclosed
EP-0871624-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1998-10-21 EP disclosed
EP-0861245-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP disclosed
WO-1997021703-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed
WO-1997019073-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO disclosed
US-5187280-A Dopaminergic, antipsychotic and antihypertensive agents WARNER-LAMBERT COMPANY (US) 1993-02-16 US disclosed
US-5118691-A Substituted tetrahydropyridines as central nervous system agents WARNER-LAMBERT CO. (US) 1992-06-02 US disclosed
US-5045550-A Antipsychotic, hypotensive agents, dopaminergic WARNER-LAMBERT CO. (US) 1991-09-03 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 (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-20150313891-A1 NEURONAL NICOTINIC AGONISTS AND METHODS OF USE CHRNA7, CHRNA2, CHRNA5 HRH1 1614/4885NAAA 281/4885CA2 701/4885
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE GNE, CYP3A5, UGT1A4 HRH1 3535/4885NAAA 88/4885CA2 2428/4885

“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.