SCHEMBL461209

SCHEMBL461209

O=C1c2ccccc2C(=O)N1CC=CBr

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.53
▸ CA12 O43570 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ GLS O94925 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ ALDH3A1 P30838 1/20 0.42
▸ RCE1 Q9Y256 1/20 0.42
▸ GSK3B P49841 1/20 0.41

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
SCHEMBL4579077 1.00 CASP3 (0.53) CASP3CA12CA9GLSALDH1A1
SCHEMBL4468251 0.87 CASP3 (0.60) CASP3CA12CA9GLSALDH1A1
SCHEMBL8950475 0.87 CASP3 (0.60) CASP3CA12CA9GLSALDH1A1
SCHEMBL4476083 0.87 CASP3 (0.60) CASP3CA12CA9GLSALDH1A1
SCHEMBL15485550 0.84 CYP1B1 (0.57) ALDH1A1RCE1
SCHEMBL29443002 0.82 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL30423183 0.82 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL4581604 0.82 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL4581609 0.82 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL5839893 0.82 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200087264-A1 NOVEL SELECTIVE LIGAND FOR DOPAMINE D3 RECEPTOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF Shenzhen City Linglan Bio-Pharmaceutical Technology Co., Ltd (CN) 2020-03-19 — — US claimed
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 — — US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 — — US disclosed
EP-3154934-B1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND THEIR USE IN TREATING NEURODEGENERATIVE DISEASES UNIV LILLE (FR) 2021-04-14 — — EP disclosed
US-20200087264-A1 NOVEL SELECTIVE LIGAND FOR DOPAMINE D3 RECEPTOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF Shenzhen City Linglan Bio-Pharmaceutical Technology Co., Ltd (CN) 2020-03-19 — — US disclosed
US-9828352-B2 Phenyl carbamates and their use as inhibitors of the fatty acid amide hydrolase (FAAH) enzyme and modulators of the D3 dopamine receptor (D3DR) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-11-28 — — US disclosed
EP-3022179-B1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) FOND ST ITALIANO TECNOLOGIA (IT) 2017-11-15 — — EP disclosed
US-20160194296-A1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-07-07 — — US disclosed
EP-3022179-A1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) Fondazione Istituto Italiano Di Tecnologia (IT) 2016-05-25 — — EP disclosed
US-9260473-B2 Bivalent multifunctional ligands targeting Aβ oligomers as treatment for Alzheimer's disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2016-02-16 — — US disclosed
US-4489089-A INHIBITION OF THE ENZYME THROMBOXANE SYNTHETASE AMERICAN CYANAMID COMPANY (US) 1984-12-18 — — US disclosed
EP-0127727-A2 Substituted N-(omega-(1H-imidazol-1-yl)alkyl)) amides AMERICAN CYANAMID COMPANY (US) 1984-12-12 — — EP disclosed
US-4434174-A Treating cardiovascular diseases with N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1984-02-28 — — US disclosed
EP-0087853-A2 4-Diphenylmethyl-1-(oxoalkyl)imino)methyl-piperidines and their derivatives McNeilab, Inc. (US) 1983-09-07 — — EP disclosed
US-4370335-A Antisecretory 4-diphenylmethyl-1-[(oxoalkyl)imino]methyl-piperidines and their derivatives MCNEILAB, INC. (US) 1983-01-25 — — US disclosed
US-4363808-A N-(3-Phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1982-12-14 — — US disclosed
EP-0034116-A2 N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1981-08-19 — — EP disclosed
US-4211703-A CHEMICAL INTERMEDIATES FOR CEPHALOSPORINS SMITHKLINE CORPORATION (US) 1980-07-08 — — US disclosed
US-4189573-A CHEMICAL INTERMEDIATES SMITHKLINE CORPORATION (US) 1980-02-19 — — US disclosed
US-4112086-A BACTERICIDE SMITHKLINE CORPORATION (US) 1978-09-05 — — 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 CASP3 1377/4885CA12 2593/4885CA9 3457/4885
US-20200087264-A1 NOVEL SELECTIVE LIGAND FOR DOPAMINE D3 RECEPTOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF DRD3, DRD2, PRLHR CASP3 3659/4885CA12 4782/4885CA9 4879/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 CASP3 1377/4885CA12 2593/4885CA9 3457/4885
US-20160194296-A1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) FAAH, FAAH2, FFAR3 CASP3 903/4885CA12 4314/4885CA9 2141/4885

“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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