SCHEMBL613866

SCHEMBL613866

C[C@H](CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TAAR1 Q96RJ0 4/20 0.31
SLC6A2 P23975 2/20 0.31
MAOA P21397 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL3310231 1.00 CYP3A4 (0.35) CYP3A4TDP1TAAR1SLC6A2MAOA
SCHEMBL613867 1.00 CYP3A4 (0.35) CYP3A4TDP1TAAR1SLC6A2MAOA
SCHEMBL7196495 0.98 CYP3A4 (0.33) CYP3A4TDP1TAAR1SLC6A2MAOA
SCHEMBL828451 0.98 CYP3A4 (0.33) CYP3A4TDP1TAAR1SLC6A2MAOA
SCHEMBL5177211 0.98 CYP3A4 (0.33) CYP3A4TDP1TAAR1SLC6A2MAOA
Hydrochloric Acid SCHEMBL4527827 0.96 CYP3A4 (0.32) CYP3A4TDP1TAAR1
Hydrochloric Acid SCHEMBL7834687 0.96 CYP3A4 (0.32) CYP3A4TDP1
Hydrochloric Acid SCHEMBL9740749 0.96 CYP3A4 (0.32) CYP3A4TDP1TAAR1
Hydrochloric Acid SCHEMBL4527828 0.96 CYP3A4 (0.32) CYP3A4TDP1
Hydrochloric Acid SCHEMBL10627872 0.96 CYP3A4 (0.32) CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136746-A USEFUL IN HYDROGENATION OF SUBSTITUTED ALPHA,BETA-UNSATURATED ACIDS AND ESTERS SETON HALL UNIVERSITY (US) 2000-10-24 US claimed
US-6025295-A CATALYST COMPRISING SUPPORT, HETEROPOLY ACID ANCHORING AGENT, METAL COMPLEX; HYDROGENATION CATALYSTS SETON HALL UNIVERSITY (US) 2000-02-15 US claimed
US-6005148-A COMPRISING SUPPORT, ANCHORING AGENT SUCH AS HETEROPOLY ACID OR ANION, AND METAL COMPLEX USEFUL IN HYDROGENATION OF SUBSTITUTED UNSATURATED ACIDS AND ESTERS SETON HALL UNIVERSITY (US) 1999-12-21 US claimed
US-4912221-A Chiral 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and precursors and preparation thereof OCCIDENTAL CHEMICAL CORPORATION (US) 1990-03-27 US claimed
CN-112189010-B Triazole N-linked carbamoyl cyclohexyl acid as LPA antagonists 百时美施贵宝公司 2026-05-15 CN disclosed
US-20260109676-A1 HETEROCYCLIC COMPOUNDS AND RELATED METHODS RECURSION PHARMACEUTICALS INC (US) 2026-04-23 US disclosed
EP-3986553-B1 CYCLOBUTYL CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2026-03-25 EP disclosed
EP-4709710-A1 IONIZABLE CATIONIC LIPIDS FOR RNA DELIVERY Arcturus Therapeutics, Inc. (US) 2026-03-18 EP disclosed
EP-3728210-B1 ISOXAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2026-02-11 EP disclosed
US-12528779-B2 Heterocyclic compounds and related methods RECURSION PHARMACEUTICALS, INC. (US) 2026-01-20 US disclosed
EP-3710422-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY AND DIASTEREOMERICALLY ENRICHED CYCLOBUTANE AMINES AND AMIDES SYNGENTA CROP PROTECTION AG (CH) 2026-01-07 EP disclosed
EP-3728209-B1 CYCLOHEXYL ACID ISOXAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-12-24 EP disclosed
WO-1983003828-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1983-11-10 WO disclosed
US-4393240-A BIS(DIPHENYPHOSPHINO) PROPANE DERIVATIVES FOR MAKING RHODIUM COMPLEX CATALYSTS STILLE JOHN K 1983-07-12 US disclosed
US-4390700-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1983-06-28 US disclosed
US-4374847-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-02-22 US disclosed
US-4374062-A ASSYMETRICAL HYDROGENATION OF DEHYDROPEPTIDES USING A PHODIUM COMPLEX CATALYST DEGUSSA AKTIENGESELLSCHAFT (DE) 1983-02-15 US disclosed
EP-0051301-A1 1-Carboxy-azaalkyl-indolin-2-carboxylic acids, process for preparing them, pharmaceutical compositions containing them and their therapeutical use CIBA-GEIGY AG (CH) 1982-05-12 EP disclosed
EP-0050850-A1 1-Carboxyalkanoylindolin-2-carboxylic acids and derivatives thereof, processes for their preparation, and pharmaceutical compositions containing these compounds CIBA-GEIGY AG (CH) 1982-05-05 EP disclosed
EP-0050196-A1 Process for the preparation of peptides Degussa Aktiengesellschaft (DE) 1982-04-28 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-20260109676-A1 HETEROCYCLIC COMPOUNDS AND RELATED METHODS SLC10A1, SCN1B, HSD3B2 CYP3A4 309/4885TDP1 1114/4885TAAR1 343/4885
US-12528779-B2 Heterocyclic compounds and related methods SLC10A1, SCN1B, NPY5R CYP3A4 268/4885TDP1 1644/4885TAAR1 241/4885

“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.