SCHEMBL755085

SCHEMBL755085

Fc1ccc(CCI)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
CASP1 P29466 1/20 0.52
HSD17B10 Q99714 1/20 0.52
IDO1 P14902 3/20 0.50
MAOB P27338 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
AOC3 Q16853 2/20 0.48
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
AGXT P21549 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
AOC2 O75106 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL7545271 0.97 TAAR1 (0.56) TAAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL5785 0.92 MAOB (0.61) TAAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL386493 0.87 TAAR1 (0.52) TAAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL9047472 0.85 TAAR1 (0.50) TAAR1IDO1MAOBLOXL2AOC3
SCHEMBL7437052 0.84 TAAR1 (0.68) TAAR1IDO1MAOBLOXL2AOC3
SCHEMBL10685072 0.84 ALDH1A1 (0.69) TAAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL8588226 0.83 TAAR1 (0.48) TAAR1IDO1MAOBLOXL2AOC3
SCHEMBL9335133 0.83 TAAR1 (0.48) TAAR1IDO1MAOBLOXL2AOC3
SCHEMBL696776 0.80 TAAR1 (0.56) TAAR1IDO1MAOBLOXL2AOC3
SCHEMBL10574057 0.79 TAAR1 (0.62) TAAR1IDO1MAOBLOXL2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116406213-A Chemical method for inhibiting ion diffusion in perovskite battery 华东理工大学 2023-07-07 CN claimed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
WO-2020112846-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2020-06-04 WO disclosed
US-20200102323-A1 ACC INHIBITORS AND USES THEREOF SCHRÖDINGER, INC. 2020-04-02 US disclosed
US-10472374-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-11-12 US disclosed
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 EP disclosed
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-01-17 US disclosed
EP-3329919-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2018-06-06 EP disclosed
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
US-5677324-A MUSCLE RELAXANTS PFIZER INC. (US) 1997-10-14 US disclosed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
EP-0690855-B1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-12-18 EP disclosed
CN-1119014-A Benzopyranes as potassium channel openers PFIZER LTD (GB) 1996-03-20 CN disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed
EP-0690855-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-01-10 EP disclosed
WO-1994020491-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LIMITED (GB) 1994-09-15 WO 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 (5 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-20200102323-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TAAR1 4250/4885ALDH1A1 104/4885HPGD 872/4885
US-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 TAAR1 4603/4885ALDH1A1 144/4885HPGD 335/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 TAAR1 3983/4885ALDH1A1 89/4885HPGD 396/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 TAAR1 4250/4885ALDH1A1 104/4885HPGD 872/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TAAR1 4250/4885ALDH1A1 104/4885HPGD 872/4885

“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.