SCHEMBL178692

SCHEMBL178692

COc1ccc(CCI)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.64
MAOB P27338 2/20 0.57
CALM1 P0DP23 2/20 0.57
IDO1 P14902 3/20 0.56
AOC3 Q16853 2/20 0.55
SIGMAR1 Q99720 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
F2RL1 P55085 1/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53

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
SCHEMBL7544110 0.98 TAAR1 (0.61) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL9826743 0.98 TAAR1 (0.61) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL5168832 0.89 CALM1 (0.62) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL834551 0.87 TAAR1 (0.73) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL5045835 0.87 CALM1 (0.60) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL7549717 0.87 CALM1 (0.60) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL11401615 0.85 CALM1 (0.58) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL11552206 0.85 CALM1 (0.58) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL8862060 0.85 CALM1 (0.58) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL250274 0.83 TAAR1 (0.61) TAAR1MAOBCALM1IDO1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119451525-A Perovskite battery preparation method and perovskite battery structure 中国科学院上海高等研究院 2025-02-14 CN disclosed
CN-114716296-B Efficient halogenation synthesis method of alkyl halide 润药仁智(北京)科技有限公司 2023-12-12 CN disclosed
US-11780825-B2 Thyroid hormone receptor agonists and use thereof ECCOGENE (SHANGHAI) CO., LTD. (CN) 2023-10-10 US disclosed
CN-114716296-A Efficient halogenation synthesis method of alkyl halide 北京大学 2022-07-08 CN disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
WO-2019163732-A1 COMPOUND AND COLORING RESIN COMPOSITION 住友化学株式会社 2019-08-29 WO disclosed
EP-3318558-A2 PROCESS FOR THE PREPARATION OF N-IODOAMIDES Technion Research & Development Foundation Limited (IL) 2018-05-09 EP disclosed
EP-3318558-A2 PROCESS FOR THE PREPARATION OF N-IODOAMIDES Technion Research & Development Foundation Limited (IL) 2018-05-09 EP disclosed
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed
EP-3066081-B1 PROCESS FOR THE PREPARATION OF N-IODOAMIDES TECHNION RES & DEV FOUNDATION (IL) 2018-04-25 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
CN-1124485-A Novel 1-phenylalkanone 5-HT4Receptor ligands SYNTEX A INC (US) 1996-06-12 CN disclosed
WO-1996015096-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER CORPORATION (US) 1996-05-23 WO disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed
WO-1994027965-A1 NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1994-12-08 WO disclosed
EP-0150892-B1 SUBSTITUTED ALKYLIDENE IMIDAZOLES G.D. Searle & Co. (US) 1991-04-24 EP disclosed
US-4837333-A SELECTIVE INHIBITOR OF THROMBOXANE SYNTHETASE ENZYME G. D. SEARLE & CO. (US) 1989-06-06 US disclosed
EP-0267439-A2 Alpha-(phenylalkyl) pyridinealkanol derivatives G.D. Searle & Co. (US) 1988-05-18 EP disclosed
EP-0150892-A2 Substituted alkylidene imidazoles G.D. Searle & Co. (US) 1985-08-07 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 (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-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 TAAR1 3983/4885MAOB 2175/4885CALM1 4152/4885
US-11780825-B2 Thyroid hormone receptor agonists and use thereof TSHR, THRA, THRB TAAR1 51/4885MAOB 1282/4885CALM1 1157/4885

“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.