SCHEMBL79353

SCHEMBL79353

COc1ccccc1CCCBr

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.60
SIGMAR1 Q99720 1/20 0.53
AOC3 Q16853 1/20 0.53
KCNH2 Q12809 1/20 0.51
MPO P05164 1/20 0.51
IDO1 P14902 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
ABCB1 P08183 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CHRM3 P20309 1/20 0.47
GRIN1 Q05586 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
SCHEMBL30118964 1.00 TAAR1 (0.60) TAAR1SIGMAR1AOC3KCNH2MPO
SCHEMBL1546039 0.94 TAAR1 (0.58) TAAR1SIGMAR1AOC3KCNH2MPO
SCHEMBL8070928 0.92 TAAR1 (0.56) TAAR1SIGMAR1AOC3MPOCHRM2
SCHEMBL31663909 0.92 TAAR1 (0.56) TAAR1SIGMAR1AOC3MPOCHRM2
SCHEMBL8073047 0.92 TAAR1 (0.56) TAAR1SIGMAR1AOC3MPOCHRM2
SCHEMBL8072538 0.92 TAAR1 (0.56) TAAR1SIGMAR1AOC3MPOCHRM2
SCHEMBL8070961 0.92 TAAR1 (0.56) TAAR1SIGMAR1AOC3MPOCHRM2
SCHEMBL8070776 0.92 TAAR1 (0.56) TAAR1SIGMAR1AOC3MPOCHRM2
SCHEMBL8071154 0.92 TAAR1 (0.56) TAAR1SIGMAR1AOC3MPOCHRM2
SCHEMBL20913236 0.88 TAAR1 (0.64) TAAR1SIGMAR1AOC3KCNH2MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388592-A1 (AZA)SPIROHEPTANE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS REMYND N.V. (BE) 2025-12-25 US disclosed
EP-4568968-A1 (AZA)SPIROHEPTANE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Remynd N.V. (BE) 2025-06-18 EP disclosed
US-20250136601-A1 CYCLOPIPERIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAITECH UNIVERSITY (CN) 2025-05-01 US disclosed
EP-4464710-A1 CYCLOPIPERIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF ShanghaiTech University (CN) 2024-11-20 EP disclosed
WO-2024148788-A1 FUSED RING PIPERIDINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海科技大学 2024-07-18 WO disclosed
WO-2024033479-A1 (AZA)SPIROHEPTANE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS REMYND N.V. (BE) 2024-02-15 WO disclosed
WO-2023134711-A1 CYCLOPIPERIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海科技大学 2023-07-20 WO disclosed
CN-116444520-A And cyclic piperidine compound, and preparation method and application thereof 上海科技大学 2023-07-18 CN disclosed
CN-111971277-B Benzothiophenes and related compounds as STING agonists 默沙东有限责任公司 2023-06-06 CN disclosed
EP-4168408-A1 COMPOUNDS FOR AND METHODS OF TREATING DISEASES Alterity Therapeutics Limited (AU) 2023-04-26 EP disclosed
US-5595872-A DNA SEQUENCES, CELLS AND EXPRESSION VECTORS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-01-21 US disclosed
EP-0717037-A1 Substituted 1H-imidazoles having alpha 2-agonistic and alpha 1-antagonistic activity U C B, S.A. (BE) 1996-06-19 EP disclosed
EP-0643057-A1 Inhibitors of microsomal triglyceride transfer protein BRISTOL-MYERS SQUIBB COMPANY (US) 1995-03-15 EP disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed
US-4350822-A Antilipidemicpara-[aryl(alkyl or alkenyl)amino]benzoic acid derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-21 US disclosed
US-4341789-A ANTISECRETORY, ANTIAGGLOMERANTS, BRONCHODILATOR AND ANTIFERTILITY AGENTS BEECHAM GROUP LIMITED (GB) 1982-07-27 US disclosed
US-4201864-A CHEMICAL INTERMEDIATES, PROSTAGLANDINS BEECHAM GROUP LIMITED (GB) 1980-05-06 US disclosed
US-4185115-A Antilipidemic para-[aryl(alkyl or alkenyl)amino]-benzoic acid derivatives AMERICAN CYANAMID COMPANY (US) 1980-01-22 US disclosed
US-4177283-A ANTISECRETORY, ANTICOAGULANT, BRONCHODILATOR BEECHAM GROUP LIMITED (GB) 1979-12-04 US 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 (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-20250388592-A1 (AZA)SPIROHEPTANE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SNCA, CHRNA6, CHRNA5 TAAR1 141/4885SIGMAR1 312/4885AOC3 246/4885
US-20250136601-A1 CYCLOPIPERIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF PPIF, CYP51A1, DHPS TAAR1 3861/4885SIGMAR1 2619/4885AOC3 4204/4885

“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.