SCHEMBL5644857

SCHEMBL5644857

[CH2]CCCc1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.59
▸ DRD1 P21728 2/20 0.59
▸ TAAR1 Q96RJ0 1/20 0.59
▸ CHRM2 P08172 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ CHRM3 P20309 1/20 0.53
▸ MGLL Q99685 1/20 0.53
▸ ENPP2 Q13822 1/20 0.52
▸ OPRK1 P41145 4/20 0.52
▸ CALM1 P0DP23 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ OPRM1 P35372 3/20 0.50
▸ OPRD1 P41143 3/20 0.50
▸ MIF P14174 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ DRD5 P21918 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ GABRA1 P14867 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47

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
SCHEMBL3027352 0.94 DRD2 (0.57) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL9293011 0.92 MGLL (0.58) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL7470818 0.92 MGLL (0.58) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL1383141 0.87 DRD2 (0.63) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL31674607 0.87 DRD2 (0.68) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL28368586 0.87 DRD2 (0.68) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL11232474 0.87 DRD2 (0.68) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL2323457 0.85 DRD2 (0.65) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL8398287 0.85 MGLL (0.68) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL21002079 0.85 MGLL (0.68) DRD2DRD1TAAR1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111836849-A Process for producing fibers, films and moldings of polybenzazole polymer (P) 巴斯夫欧洲公司 2020-10-27 — — CN disclosed
US-7183296-B2 Anti-HIV pyrazole derivatives ROCHE PALO ALTO LLC (US) 2007-02-27 — — US disclosed
EP-1341766-B1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES HOFFMANN LA ROCHE (CH) 2005-10-26 — — EP disclosed
US-20040192752-A1 Anti-HIV pyrazole derivatives DYMOCK BRIAN WILLIAM (GB) 2004-09-30 — — US disclosed
US-6699887-B2 ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PYRRAZOLE SULFIDE OR ETHER COMPOUND TO TREAT THE HUMAN IMMUNODEFICIENCY VIRUS INFECTION HOFFMANN-LA ROCHE INC. 2004-03-02 — — US disclosed
EP-1341766-A1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-10 — — EP disclosed
EP-1326843-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. Hoffmann-La Roche AG (CH) 2003-07-16 — — EP disclosed
US-6518293-B2 Inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is involved in viral replication. HOFFMANN-LA ROCHE INC. 2003-02-11 — — US disclosed
US-20030018197-A1 Anti-HIV pyrazole derivatives HOFFMANN-LA ROCHE INC. 2003-01-23 — — US disclosed
US-20020107272-A1 Anti-HIV imidazolone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 — — US disclosed
US-5008274-A Carbostyril derivatives and salts thereof and pharmaceutical composition for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-16 — — US disclosed
US-4766120-A ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1988-08-23 — — US disclosed
EP-0240015-A2 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-10-07 — — EP disclosed
US-4663323-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-05-05 — — US disclosed
EP-0078462-B1 1,2,4,6-THIATRIAZINE-1,1 DIOXIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-GROWTH AGENTS FOR UNWANTED PLANTS BASF Aktiengesellschaft (DE) 1986-01-15 — — EP disclosed
EP-0035046-B1 NOVEL TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-10-02 — — EP disclosed
US-4540703-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1985-09-10 — — US disclosed
US-4472191-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1984-09-18 — — US disclosed
EP-0078462-A1 1,2,4,6-Thiatriazine-1,1 dioxides, process for their preparation and their use as anti-growth agents for unwanted plants BASF Aktiengesellschaft (DE) 1983-05-11 — — EP disclosed
EP-0035046-A1 Novel tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 — — 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 (3 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-20040192752-A1 Anti-HIV pyrazole derivatives CYP51A1, TYMP, POLRMT DRD2 3931/4885DRD1 3129/4885TAAR1 4789/4885
US-20020107272-A1 Anti-HIV imidazolone derivatives EIF2AK2, IMPDH1, POLR2E DRD2 3354/4885DRD1 2957/4885TAAR1 4853/4885
US-20030018197-A1 Anti-HIV pyrazole derivatives CYP51A1, TYMP, POLRMT DRD2 3931/4885DRD1 3129/4885TAAR1 4789/4885

“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.

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