SCHEMBL808710

SCHEMBL808710

Fc1ccc(C2CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
KDM1A O60341 2/20 0.42
MAOB P27338 1/20 0.42
USP5 P45974 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
USP30 Q70CQ3 1/20 0.38
GRIA4 P48058 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESR2 Q92731 1/20 0.37
QDPR P09417 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL29389392 1.00 HTR2A (0.46) HTR2AHTR2CHTR2BKDM1AMAOB
Ammonia Solution, Strong SCHEMBL2142374 0.98 HTR2A (0.44) HTR2AHTR2CHTR2BKDM1AMAOB
Hydrochloric Acid SCHEMBL27914628 0.95 HTR2A (0.47) HTR2AHTR2CHTR2BKDM1AMAOB
Methyl Alcohol SCHEMBL27955336 0.93 HTR2A (0.42) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL17827776 0.93 HTR2A (0.42) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL18503358 0.91 HTR2A (0.41) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL12917832 0.91 GRIA4 (0.43) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL7762634 0.89 HTR2A (0.40) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL21228907 0.89 HTR2A (0.40) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL9979948 0.89 ESR2 (0.52) HTR2AHTR2CHTR2BKDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106631887-A Preparation process for (1R,2S)-1-cyano-2-(3,4-difluoro-phenyl)cyclopropane 青岛云天生物技术有限公司 2017-05-10 CN claimed
EP-3955929-A1 NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2022-02-23 EP disclosed
EP-3919497-A1 PROCESS FOR THE PREPARATION OF TICAGRELOR Zaklady Farmaceutyczne Polpharma S.A. (PL) 2021-12-08 EP disclosed
EP-3736265-A1 (HETERO)ARYL CYCLOPROPYLAMINE COMPOUNDS AS LSD1 INHIBITORS Oryzon Genomics, S.A. (ES) 2020-11-11 EP disclosed
WO-2020212553-A1 NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2020-10-22 WO disclosed
EP-2768805-B1 (HETERO)ARYL CYCLOPROPYLAMINE COMPOUNDS AS LSD1 INHIBITORS ORYZON GENOMICS SA (ES) 2020-03-25 EP disclosed
EP-2755957-B2 SYNTHESIS OF TRIAZOLOPYRIMIDINE COMPOUNDS LEK PHARMACEUTICALS (SI) 2019-05-15 EP disclosed
US-20180148745-A1 HEMOPROTEIN CATALYSTS FOR IMPROVED ENANTIOSELECTIVE ENZYMATIC SYNTHESIS OF TICAGRELOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-05-31 US disclosed
US-9982061-B2 Antibodies to ticagrelor and methods of use MEDIMMUNE LIMITED (GB) 2018-05-29 US disclosed
CN-106565503-B The method for synthesizing (1R, 2S) -1- amino-(3,4- difluorophenyls)-cyclopropane 华北理工大学 2018-04-24 CN disclosed
WO-2013037942-A1 SYNTHESIS OF TRIAZOLOPYRIMIDINE COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2013-03-21 WO disclosed
EP-2570405-A1 Synthesis of Triazolopyrimidine Compounds LEK Pharmaceuticals d.d. (SI) 2013-03-20 EP disclosed
WO-2013023511-A1 TRIAZOLOPYRIMIDINE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF 上海恒瑞医药有限公司 (CN) 2013-02-21 WO disclosed
WO-2012138981-A2 NEW INTERMEDIATES AND PROCESSES FOR PREPARING TICAGRELOR TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2012-10-11 WO disclosed
EP-2292582-A3 2-substituted 1-(3,4-difluorophenyl)cyclopropane derivatives AstraZeneca AB (SE) 2011-11-02 EP disclosed
US-20110137056-A1 Chemical Process For Preparation Of Intermediates ASTRAZENECA AB (SE) 2011-06-09 US disclosed
EP-2292582-A2 2-substituted 1-(3,4-difluorophenyl)cyclopropane derivatives AstraZeneca AB (SE) 2011-03-09 EP disclosed
WO-2011017108-A2 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
US-7863469-B2 preparing the enantiomerically pure carboxylic acid derivatives ethyl (1R,2R)-trans2-(3,4-difluorophenyl)cyclopropyl carboxylate; as starting material for trans2-(3,4-difluorophenyl)cyclopropyl carboxamide; chemical intermediates for producing platelet receptor antagonists, anticoagulants ASTRAZENECA AB (SE) 2011-01-04 US disclosed
US-20080132719-A1 preparing the enantiomerically pure carboxylic acid derivatives ethyl (1R,2R)-trans2-(3,4-difluorophenyl)cyclopropyl carboxylate; as starting material for trans2-(3,4-difluorophenyl)cyclopropyl carboxamide; chemical intermediates for producing platelet receptor antagonists, anticoagulants ASTRAZENECA AB (SE) 2008-06-05 US 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-20110137056-A1 Chemical Process For Preparation Of Intermediates DHPS, CYP3A5, CYP3A43 HTR2A 3056/4885HTR2C 2268/4885HTR2B 3200/4885
US-20080132719-A1 preparing the enantiomerically pure carboxylic acid derivatives ethyl (1R,2R)-trans2-(3,4-difluorophenyl)cyclopropyl carboxylate; as starting material for trans2-(3,4-difluorophenyl)cyclopropyl carboxamide; chemical intermediates for producing platelet receptor antagonists, anticoagulants TBXA2R, F2R, F2 HTR2A 372/4885HTR2C 474/4885HTR2B 789/4885

“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.