SCHEMBL5037293

SCHEMBL5037293

NCCC1(O)CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 1/20 0.32
CPB2 Q96IY4 5/20 0.31

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 SCHEMBL8994779 0.97 USP2 (0.32) USP2TSHRALDH1A1LMNACYP1A2
SCHEMBL1696866 0.97
Hydrochloric Acid SCHEMBL1696806 0.94
SCHEMBL18835265 0.92
SCHEMBL1141181 0.85
Cyclohexanol SCHEMBL465356 0.85 TSHR (0.40) TSHRCYP2C19
SCHEMBL595778 0.82 CYP2C19 (0.37) USP2TSHRALDH1A1CYP2C19
SCHEMBL7748710 0.80 CPB2 (0.44) TSHRLMNABLMCPB2
SCHEMBL22898252 0.77
SCHEMBL30962320 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4597911-A REACTING AMINO ALCOHOL WITH AMMONIUM BISULFITE OR AMMONIUM SULFATE AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-07-01 US claimed
US-4496762-A Process for the preparation of N-(2-(cyclo-hexen-1-yl)ethyl)-4-methoxybenzeneacetamide EASTMAN KODAK COMPANY (US) 1985-01-29 US claimed
CN-106928073-A A kind of preparation method of desmethylvenlafaxine 石家庄度恩医药科技有限公司 2017-07-07 CN disclosed
EP-1450796-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP disclosed
US-6596718-B1 A compound of formula I has a good affinity to the A2A receptor and is useful for the treatment of diseases mediated by this receptor. HOFFMANN-LA ROCHE INC. 2003-07-22 US disclosed
US-4597911-A REACTING AMINO ALCOHOL WITH AMMONIUM BISULFITE OR AMMONIUM SULFATE AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-07-01 US disclosed
US-4496762-A Process for the preparation of N-(2-(cyclo-hexen-1-yl)ethyl)-4-methoxybenzeneacetamide EASTMAN KODAK COMPANY (US) 1985-01-29 US disclosed
US-4443593-A Salvage of polycarbonate wastes by conversion to monomeric hydroxycarbamoyl phenols THE DOW CHEMICAL COMPANY (US) 1984-04-17 US disclosed
US-4440940-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-04-03 US disclosed
US-4341789-A ANTISECRETORY, ANTIAGGLOMERANTS, BRONCHODILATOR AND ANTIFERTILITY AGENTS BEECHAM GROUP LIMITED (GB) 1982-07-27 US disclosed
EP-0001900-B1 9-THIA-12-AZAPROSTANOIC ACID DERIVATIVES AND COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1982-04-07 EP disclosed
US-4225609-A Interphenylene 9-thia-11-oxo-12-aza-prostanoic acids MERCK & CO., INC. (US) 1980-09-30 US disclosed
US-4201864-A CHEMICAL INTERMEDIATES, PROSTAGLANDINS BEECHAM GROUP LIMITED (GB) 1980-05-06 US disclosed
US-4177283-A ANTISECRETORY, ANTICOAGULANT, BRONCHODILATOR BEECHAM GROUP LIMITED (GB) 1979-12-04 US disclosed
EP-0001900-A1 9-Thia-12-azaprostanoic acid derivatives and compositions containing them MERCK & CO. INC. (US) 1979-05-16 EP disclosed
US-4138407-A ANTISECRETORY, BRONCHODILATOR, ANTICOAGULANT BEECHAM GROUP LIMITED (GB) 1979-02-06 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-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR USP2 4219/4885TSHR 239/4885ALDH1A1 1851/4885

“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.