SCHEMBL3310231

SCHEMBL3310231

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
SCHEMBL613866 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-111417618-B Process for preparing enantiomerically and diastereomerically enriched cyclobutane amines and amides 先正达参股股份有限公司 2023-06-30 CN disclosed
US-11053188-B2 Process for the preparation of enantiomerically and diastereomerically enriched cyclobutane amines and amides SYNGENTA PARTICIPATIONS AG (CH) 2021-07-06 US disclosed
EP-3489213-B1 COMPOSITION FOR USE IN A METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2021-04-28 EP disclosed
US-20200407311-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY AND DIASTEREOMERICALLY ENRICHED CYCLOBUTANE AMINES AND AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2020-12-31 US disclosed
EP-3710422-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY AND DIASTEREOMERICALLY ENRICHED CYCLOBUTANE AMINES AND AMIDES Syngenta Participations AG (CH) 2020-09-23 EP disclosed
US-10752625-B2 Method of making tetrahydronaphthyridinyl nonanoic acid compounds SCIFLUOR LIFE SCIENCES, INC. (US) 2020-08-25 US disclosed
US-20190194195-A1 METHOD OF MAKING TETRAHYDRONAPHTHYRIDINYL NONANOIC ACID COMPOUNDS FELIQS CORPORATION (JP) 2019-06-27 US disclosed
US-10253025-B2 Method of making tetrahydronaphthyridinyl nonanoic acid compounds SCIFLUOR LIFE SCIENCES, INC. (US) 2019-04-09 US disclosed
EP-3233778-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2019-02-20 EP disclosed
WO-2007082927-A1 CHEMICAL TRANSFORMATION PROCESS IN THE PRESENCE OF A RUTHENIUM CATALYST BASF SE (DE) 2007-07-26 WO disclosed
EP-1567535-B1 BIDENTATE C,P CHIRAL PHOSPHINE LIGANDS HOFFMANN LA ROCHE (CH) 2007-01-17 EP disclosed
US-7144897-B2 Hydroxy alkyl amines Elan Oharmaceuticals, Inc. (US) 2006-12-05 US disclosed
US-20050130936-A1 Processes and intermediates for preparing benzyl epoxides PHARMACIA & UPJOHN COMPANY 2005-06-16 US disclosed
US-6849750-B2 Processes and intermediates for preparing benzyl epoxides PHARMACIA & UPJOHN COMPANY LLC (US) 2005-02-01 US disclosed
US-20040044072-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2004-03-04 US disclosed
US-20030166717-A1 Hydroxy alkyl amines FRESKOS JOHN (US) 2003-09-04 US disclosed
US-20030004360-A1 Processes and intermediates for preparing benzyl epoxides PHARMACIA & UPJOHN COMPANY 2003-01-02 US disclosed
US-5780692-A CATALYTIC ASYMMETRIC HYDROGENATION OF A BENZOPHENONE; SIMPLIFICATION TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-07-14 US disclosed
EP-0781749-A2 Process for producing optically active benzhydrol compounds Takasago International Corporation (JP) 1997-07-02 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 (9 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-20190194195-A1 METHOD OF MAKING TETRAHYDRONAPHTHYRIDINYL NONANOIC ACID COMPOUNDS NISCH, SLC10A1, AANAT CYP3A4 346/4885TDP1 1783/4885TAAR1 655/4885
US-20030166717-A1 Hydroxy alkyl amines PSEN1, MAOA, PSEN2 CYP3A4 879/4885TDP1 189/4885TAAR1 125/4885
US-20040044072-A1 Substituted hydroxyethylamines BACE1, BACE2, PSEN1 CYP3A4 737/4885TDP1 257/4885TAAR1 1706/4885
US-20050130936-A1 Processes and intermediates for preparing benzyl epoxides CYP2F1, VKORC1, POR CYP3A4 12/4885TDP1 4153/4885TAAR1 4237/4885
US-10752625-B2 Method of making tetrahydronaphthyridinyl nonanoic acid compounds NISCH, SLC10A1, AANAT CYP3A4 346/4885TDP1 1783/4885TAAR1 655/4885
US-20030004360-A1 Processes and intermediates for preparing benzyl epoxides CYP2F1, VKORC1, VKORC1L1 CYP3A4 14/4885TDP1 3808/4885TAAR1 3711/4885
US-20200407311-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY AND DIASTEREOMERICALLY ENRICHED CYCLOBUTANE AMINES AND AMIDES TBCB, ADORA2B, ADRA2B CYP3A4 418/4885TDP1 4095/4885TAAR1 474/4885
US-10253025-B2 Method of making tetrahydronaphthyridinyl nonanoic acid compounds NISCH, SLC10A1, AANAT CYP3A4 346/4885TDP1 1783/4885TAAR1 655/4885
US-11053188-B2 Process for the preparation of enantiomerically and diastereomerically enriched cyclobutane amines and amides TBCB, ADORA2B, CCNB3 CYP3A4 519/4885TDP1 3996/4885TAAR1 428/4885

“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.