SCHEMBL3797481

SCHEMBL3797481

COc1ccc(CCC(C)(C)N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.59
MAOB P27338 2/20 0.53
AOC3 Q16853 3/20 0.52
CALM1 P0DP23 2/20 0.49
IDO1 P14902 3/20 0.48
AGXT P21549 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
F2RL1 P55085 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46

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
SCHEMBL10653776 0.89 TAAR1 (0.55) TAAR1MAOBAOC3CALM1IDO1
SCHEMBL21058265 0.85 SLC6A2 (0.44) TAAR1SLC6A4
SCHEMBL1754089 0.83 TAAR1 (0.57) TAAR1MAOBAOC3CALM1IDO1
SCHEMBL21058263 0.81 NQO1 (0.52) CA12CA1CA2CA9
SCHEMBL8939115 0.80 TAAR1 (0.53) TAAR1MAOBAOC3CALM1IDO1
SCHEMBL183751 0.79 SLC6A2 (0.57) TAAR1MAOBAOC3IDO1AGXT
SCHEMBL13359300 0.78 TAAR1 (0.52) TAAR1MAOBAOC3CALM1IDO1
SCHEMBL10442188 0.78 TAAR1 (0.64) TAAR1AOC3IDO1AGXTSIGMAR1
SCHEMBL28184932 0.78 F2RL1 (0.53) TAAR1MAOBCALM1CA1CA2
SCHEMBL834551 0.78 TAAR1 (0.73) TAAR1MAOBAOC3CALM1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US claimed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US claimed
EP-4460492-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE (INSERM) Institut National de la Santé et de la Recherche Médicale (FR) 2024-11-13 EP disclosed
WO-2023131677-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-07-13 WO disclosed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US disclosed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US disclosed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US disclosed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US disclosed
US-7902394-B2 Calcilytic compounds GLAXOSMITHKLINE LLC (US) 2011-03-08 US disclosed
US-20100029782-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION (US) 2010-02-04 US disclosed
US-5488064-A ANTIDIABETIC AGENTS, GASTROINTESTINAL AGENTS, ADRENERGIC BLOCKING AGENTS OR STIMULANTS AND TREATMENT OF OBESITY BRISTOL-MYERS SQUIBB COMPANY (US) 1996-01-30 US disclosed
EP-0066351-B1 ARYLETHANOL AMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1985-06-26 EP disclosed
EP-0047536-B1 SUBSTITUTED PROPYLAMINES ELI LILLY AND COMPANY (US) 1984-06-27 EP disclosed
US-4452816-A HYPOTENSIVE AND ANTIARRHYTHMIA AGENTS STERLING DRUG INC. (US) 1984-06-05 US disclosed
EP-0007206-B1 PHENETHANOLAMINES, THEIR FORMULATIONS, PREPARATION AND USE ELI LILLY AND COMPANY (US) 1983-02-23 EP disclosed
US-4374149-A HYPOTENSIVE AGENT AND VASODILATOR STERLING DRUG INC. (US) 1983-02-15 US disclosed
EP-0070134-A1 Secondary phenyl ethanol amines and their pharmaceutical use BEECHAM GROUP PLC (GB) 1983-01-19 EP disclosed
EP-0066351-A1 Arylethanol amine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1982-12-08 EP disclosed
EP-0047536-A2 Substituted propylamines ELI LILLY AND COMPANY (US) 1982-03-17 EP disclosed
EP-0007206-A1 Phenethanolamines, their formulations, preparation and use ELI LILLY AND COMPANY (US) 1980-01-23 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-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds CHKB, HRH3, PNMT TAAR1 72/4885MAOB 337/4885AOC3 64/4885
US-20100029782-A1 Calcilytic Compounds CALCR, CALCA, CALCB TAAR1 3806/4885MAOB 2176/4885AOC3 2157/4885
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds CHKB, HRH3, PNMT TAAR1 86/4885MAOB 333/4885AOC3 61/4885

“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.