SCHEMBL9066577

SCHEMBL9066577

CC[C@@H](N)COCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.57
TSHR P16473 1/20 0.52
SLC1A1 P43005 1/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
EPHX1 P07099 1/20 0.43
IDO1 P14902 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4088856 1.00 TACR1 (0.57) TACR1TSHRSLC1A1CA1CA2
SCHEMBL3621494 1.00 TACR1 (0.57) TACR1TSHRSLC1A1CA1CA2
SCHEMBL18394417 0.88 TACR1 (0.63) TACR1TSHRSLC1A1CA1CA2
SCHEMBL6118975 0.85 TACR1 (0.54) TACR1TSHRSLC1A1CA1CA2
SCHEMBL2781643 0.84 TACR1 (0.59) TACR1TSHRSLC1A1CA1CA2
SCHEMBL7965700 0.84 TACR1 (0.59) TACR1TSHRSLC1A1CA1CA2
SCHEMBL7967707 0.84 TACR1 (0.59) TACR1TSHRSLC1A1CA1CA2
Hydrochloric Acid SCHEMBL8935783 0.82 TACR1 (0.58) TACR1TSHRSLC1A1CA1CA2
SCHEMBL903590 0.82 TACR1 (0.73) TACR1TSHRSLC1A1CA1CA2
SCHEMBL18579714 0.82 TACR1 (0.73) TACR1TSHRSLC1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116949003-A Transaminase mutant and application thereof and enzyme catalysis method 复旦大学 2023-10-27 CN claimed
US-5583259-A FOR RESOLVING RACEMIC MIXTURES LES LABORATOIRES BEECHAM S.A. (FR) 1996-12-10 US claimed
EP-0570443-B1 AMINOALCOHOLS USEFUL AS OPTICAL RESOLVING AGENTS SMITHKLINE BEECHAM LAB (FR) 1995-11-29 EP claimed
EP-0570443-A1 AMINOALCOHOLS USEFUL AS OPTICAL RESOLVING AGENTS. BEECHAM LAB SA (FR) 1993-11-24 EP claimed
WO-1992013823-A1 AMINOALCOHOLS USEFUL AS OPTICAL RESOLVING AGENTS LES LABORATOIRES BEECHAM S.A. (FR) 1992-08-20 WO claimed
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2025-01-14 US disclosed
CN-116949003-A Transaminase mutant and application thereof and enzyme catalysis method 复旦大学 2023-10-27 CN disclosed
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2023-01-05 US disclosed
CN-108368083-B Heteroaryl compounds and their use as therapeutic agents 东亚首希控股股份有限公司 2022-02-01 CN disclosed
US-10947215-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2021-03-16 US disclosed
EP-3344613-B1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2020-03-04 EP disclosed
US-20190119252-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2019-04-25 US disclosed
US-20090306079-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION 2009-12-10 US disclosed
EP-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 EP disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
US-5583259-A FOR RESOLVING RACEMIC MIXTURES LES LABORATOIRES BEECHAM S.A. (FR) 1996-12-10 US disclosed
EP-0570443-B1 AMINOALCOHOLS USEFUL AS OPTICAL RESOLVING AGENTS SMITHKLINE BEECHAM LAB (FR) 1995-11-29 EP disclosed
EP-0570443-A1 AMINOALCOHOLS USEFUL AS OPTICAL RESOLVING AGENTS. BEECHAM LAB SA (FR) 1993-11-24 EP disclosed
WO-1992013823-A1 AMINOALCOHOLS USEFUL AS OPTICAL RESOLVING AGENTS LES LABORATOIRES BEECHAM S.A. (FR) 1992-08-20 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 (6 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-10947215-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC TACR1 801/4885TSHR 1878/4885SLC1A1 2206/4885
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 TACR1 183/4885TSHR 2257/4885SLC1A1 1671/4885
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC TACR1 801/4885TSHR 1878/4885SLC1A1 2206/4885
US-20190119252-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC TACR1 801/4885TSHR 1878/4885SLC1A1 2206/4885
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC TACR1 801/4885TSHR 1878/4885SLC1A1 2206/4885
US-20090306079-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS CCR1, ACKR3, CXCR1 TACR1 183/4885TSHR 2257/4885SLC1A1 1671/4885

“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.