SCHEMBL2959972

SCHEMBL2959972

ClCCCCc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.59
LOXL2 Q9Y4K0 2/20 0.50
NAAA Q02083 1/20 0.48
HRH3 Q9Y5N1 3/20 0.46
HRH4 Q9H3N8 2/20 0.46
CYP3A4 P08684 5/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL2892360 0.98 HRH1 (0.57) HRH1LOXL2NAAAHRH3HRH4
SCHEMBL9466820 0.98 HRH1 (0.63) HRH1LOXL2NAAAHRH3HRH4
SCHEMBL7417903 0.98 HRH1 (0.63) HRH1LOXL2NAAAHRH3HRH4
SCHEMBL742971 0.93 HRH1 (0.56) HRH1LOXL2NAAAHRH3HRH4
Hydrochloric Acid SCHEMBL1869293 0.91 HRH1 (0.54) HRH1LOXL2NAAAHRH3HRH4
SCHEMBL10386360 0.88 HRH1 (0.53) HRH1NAAACYP3A4ALDH1A1HSD17B10
SCHEMBL726645 0.87 HRH1 (0.73) HRH1LOXL2NAAAHRH3HRH4
SCHEMBL12050755 0.87 CYP17A1 (0.47) HRH1LOXL2NAAACYP3A4CYP2D6
SCHEMBL4413800 0.85 HRH1 (0.77) HRH1LOXL2NAAAHRH3HRH4
SCHEMBL2841394 0.85 HRH1 (0.77) HRH1LOXL2NAAAHRH3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233748-B Synthesis of tirofiban hydrochloride 江苏慧聚药业股份有限公司 2022-07-26 CN disclosed
CN-111100066-B Tirofiban hydrochloride intermediate and preparation method of Tirofiban hydrochloride 石药集团恩必普药业有限公司 2021-07-30 CN disclosed
CN-111233748-A Synthesis of tirofiban hydrochloride 海门慧聚药业有限公司 2020-06-05 CN disclosed
CN-111138349-A Synthesis method of tirofiban hydrochloride intermediate III 鲁南制药集团股份有限公司 2020-05-12 CN disclosed
CN-111100066-A Tirofiban hydrochloride intermediate and preparation method of Tirofiban hydrochloride 石药集团恩必普药业有限公司 2020-05-05 CN disclosed
CN-102452975-A Synthesis method of tirofiban hydrochloride intermediate TIANJIN KANGHONG MEDICAL TECHNOLOGY DEV CO LTD 2012-05-16 CN disclosed
CN-102285912-A Method for preparing N-n-butylsulfonyl-O-(4-(4-pyridyl)-butyl)-L-tyrosine alkyl ester 2011-12-21 CN disclosed
US-7772229-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, (SE) 2009-12-31 US disclosed
EP-1330452-B1 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES ORTHO MCNEIL PHARM INC (US) 2008-11-26 EP disclosed
US-5206373-A Process for preparing fibrinogen receptor antagonists MERCK & CO., INC. (US) 1993-04-27 US disclosed
US-5206233-A Antidepressants, antiischemic agents WARNER-LAMBERT COMPANY (US) 1993-04-27 US disclosed
WO-1993004053-A1 SUBSTITUTED THIAZEPINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-04 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
EP-0101381-B1 ANOREXIC TRIFLUOROMETHYL PHENYL TETRAHYDROPYRIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI S.A. (FR) 1985-12-04 EP disclosed
US-4521428-A Anorexigenic trifluoromethylphenyltetrahydropyridines and pharmaceutical compositions containing them SANOFI (FR) 1985-06-04 US disclosed
EP-0101381-A1 Anorexic trifluoromethyl phenyl tetrahydropyridines, process for their preparation and pharmaceutical compositions containing them SANOFI S.A. (FR) 1984-02-22 EP disclosed
US-4203987-A HYPOTENSIVE AGENTS, ANTISECRETORY AGENTS, ANTIULCER AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1980-05-20 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 (1 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-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B HRH1 970/4885LOXL2 3672/4885NAAA 2874/4885

“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.