SCHEMBL644767

SCHEMBL644767

NC(c1ccccc1)[C@@H](N)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 1.00
F2 P00734 1/20 0.65
HTR2A P28223 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ADRA2A P08913 1/20 0.48
ADRA2C P18825 1/20 0.48
LMNA P02545 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL1878642 1.00 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL2067094 1.00 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL851654 1.00 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL150159 1.00 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL239938 1.00 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
Ammonia Solution, Strong SCHEMBL4410348 0.97 DPP4 (0.93) DPP4F2HTR2ATAAR1ADRA2A
Hydrochloric Acid SCHEMBL9670481 0.97 DPP4 (0.93) DPP4F2HTR2ATAAR1ADRA2A
Lithium SCHEMBL31260781 0.97 DPP4 (0.93) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL10350027 0.97 DPP4 (0.93) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL6743969 0.97 DPP4 (0.93) DPP4F2HTR2ATAAR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124491-A Preparation method of cyclododecane oxide and cyclododecanone 中国科学院上海有机化学研究所 2022-09-30 CN claimed
CN-109456471-B Method for simultaneously synthesizing chiral polyester and retaining chiral terminal alkylene oxide 大连理工大学 2021-02-19 CN claimed
CN-106543074-B One-dimensional chirality Cu (II) chain complex of one kind and the preparation method and application thereof 山东师范大学 2019-03-19 CN claimed
CN-106543074-A A kind of one-dimensional chiral Cu (II) chain coordination compound and preparation method and application 山东师范大学 2017-03-29 CN claimed
US-9353390-B2 Genetically engineered microbes and methods for producing 4-hydroxycoumarin UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2016-05-31 US claimed
CN-103272648-B Magnetic porous supported metallic chiral catalyst and application thereof UNIV WENZHOU 2015-01-28 CN claimed
US-20140370557-A1 GENETICALLY ENGINEERED MICROBES AND METHODS FOR PRODUCING 4-HYDROXYCOUMARIN UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2014-12-18 US claimed
CN-103272648-A Magnetic porous supported metallic chiral catalyst and application thereof UNIV WENZHOU 2013-09-04 CN claimed
CN-101940951-B Load-type chiral catalyst and application thereof in catalysis preparation of Fluoxetine intermediate UNIV WENZHOU 2012-06-20 CN claimed
CN-102228842-A Supported iron-based chiral complex catalyst and preparation method and application thereof UNIV WENZHOU 2011-11-02 CN claimed
CN-101940951-A Load-type chiral catalyst and application thereof in catalysis preparation of Fluoxetine intermediate UNIV WENZHOU 2011-01-12 CN claimed
US-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts YALE UNIVERSITY (US) 2007-11-08 US claimed
EP-1745056-A4 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS YALE UNIVERSITY CORP (US) 2007-10-31 EP claimed
EP-1745056-A2 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS Yale University Corporation (US) 2007-01-24 EP claimed
US-20060199728-A1 Enantioselective amination and etherification YALE UNIVERSITY (US) 2006-09-07 US claimed
WO-2005111050-A2 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS YALE UNIVERSITY (US) 2005-11-24 WO claimed
WO-2005077885-A1 RUTHENIUM-CATALYZED HYDROAMINATION OF OLEFINS YALE UNIVERSITY (US) 2005-08-25 WO claimed
EP-3997082-B1 PROCESS FOR THE SYNTHESIS OF NON-RACEMIC CYCLOHEXENES BASF CORP (US) 2026-04-15 EP disclosed
US-5352814-A Optically active manganese complex NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-04 US disclosed
EP-0535377-A2 Optically active benzopyran compound, process for producing it and optically active manganese complex NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-04-07 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 (1 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-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts AKR1C3, PCNA, AKR1C4 DPP4 2730/4885F2 455/4885HTR2A 3816/4885

“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.