SCHEMBL80083

SCHEMBL80083

COc1ccc(CCCBr)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.62
TAAR1 Q96RJ0 1/20 0.57
IGF1R P08069 1/20 0.55
ALOX15 P16050 1/20 0.55
MAOB P27338 2/20 0.52
ALOX5 P09917 1/20 0.51
IDO1 P14902 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
AOC3 Q16853 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
F2RL1 P55085 1/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48

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
SCHEMBL3106320 0.94 CALM1 (0.60) CALM1TAAR1IGF1RALOX15MAOB
SCHEMBL7620035 0.92 CALM1 (0.58) CALM1TAAR1IGF1RALOX15MAOB
SCHEMBL8071157 0.92 CALM1 (0.58) CALM1TAAR1IGF1RALOX15MAOB
SCHEMBL7741972 0.92 CALM1 (0.58) CALM1TAAR1IGF1RALOX15MAOB
SCHEMBL8073052 0.92 CALM1 (0.58) CALM1TAAR1IGF1RALOX15MAOB
SCHEMBL6682756 0.92 CALM1 (0.58) CALM1TAAR1IGF1RALOX15MAOB
SCHEMBL8070931 0.92 CALM1 (0.58) CALM1TAAR1IGF1RALOX15MAOB
SCHEMBL11462164 0.92 CALM1 (0.58) CALM1TAAR1IGF1RALOX15MAOB
SCHEMBL177865 0.86 TAAR1 (0.61) CALM1TAAR1MAOBIDO1SIGMAR1
SCHEMBL4254058 0.86 CALM1 (0.72) CALM1TAAR1IGF1RALOX15MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10940468-B2 Nickel catalyst, process for preparation and use thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-03-09 US claimed
WO-2017154022-A1 NOVEL NICKEL CATALYST, PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-14 WO claimed
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
CN-116194439-B SOCE inhibitors and therapeutic uses thereof 国家医疗保健研究所 2025-04-08 CN disclosed
US-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2024-10-31 US disclosed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 EP disclosed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 CN disclosed
US-20240116876-A1 SOCE Inhibitors and Therapeutic Uses Thereof Institut National de la Santé et de la Recherche Médicale (FR) 2024-04-11 US disclosed
WO-2024033479-A1 (AZA)SPIROHEPTANE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS REMYND N.V. (BE) 2024-02-15 WO disclosed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 WO disclosed
CN-1039415-A New 1, the preparation method of 3-3-disubstituted piperidine derivatives PFIZER (GB) 1990-02-07 CN disclosed
EP-0292840-A2 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation Dr. Karl Thomae GmbH (DE) 1988-11-30 EP disclosed
EP-0267439-A2 Alpha-(phenylalkyl) pyridinealkanol derivatives G.D. Searle & Co. (US) 1988-05-18 EP disclosed
US-4689341-A Antiarrhythmic imidazoles SCHERING A.G. (DE) 1987-08-25 US disclosed
EP-0224794-A2 Cyclic amine derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-06-10 EP disclosed
US-4613609-A Antiarrhythmic imidazoliums SCHERING A. G. (DE) 1986-09-23 US disclosed
US-4581370-A Antiarrhythmic imidazoliums SCHERING A.G. (DE) 1986-04-08 US disclosed
EP-0131302-A2 Imidazolium salts, intermediates thereto and their use SCHERING AKTIENGESELLSCHAFT (DE) 1985-01-16 EP disclosed
US-3962282-A JUVENILE HORMONE MIMICS ELI LILLY AND COMPANY (US) 1976-06-08 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-20240116876-A1 SOCE Inhibitors and Therapeutic Uses Thereof STIM1, ORAI1, STIM2 CALM1 239/4885TAAR1 2374/4885IGF1R 2641/4885
US-10940468-B2 Nickel catalyst, process for preparation and use thereof NISCH, NIT2, C9 CALM1 4562/4885TAAR1 3210/4885IGF1R 4019/4885
US-20250388592-A1 (AZA)SPIROHEPTANE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SNCA, CHRNA6, CHRNA5 CALM1 486/4885TAAR1 141/4885IGF1R 2289/4885
US-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS ITGB3, ITGA2, ITGAV CALM1 3011/4885TAAR1 589/4885IGF1R 657/4885

“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.