SCHEMBL808663

SCHEMBL808663

C[C@@H]1CC1c1ccc(F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.55
HTR2C P28335 2/20 0.55
HTR2B P41595 2/20 0.55
KDM1A O60341 9/20 0.46
MAOB P27338 1/20 0.46
KCNH2 Q12809 2/20 0.44
KDM1B Q8NB78 1/20 0.44
GRIA4 P48058 1/20 0.42

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
SCHEMBL808747 1.00 HTR2A (0.55) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL20997590 1.00 HTR2A (0.55) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL13192766 1.00 HTR2A (0.55) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL20202734 1.00 HTR2A (0.55) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL8329699 0.82 KDM1A (0.41) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL14141377 0.80 GRIA4 (0.51) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL31412689 0.79 KDM1A (0.44) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL23995537 0.79 KDM1A (0.70) HTR2AHTR2CHTR2BKDM1AKCNH2
SCHEMBL23993641 0.79 KDM1A (0.51) HTR2AHTR2CHTR2BKDM1A
SCHEMBL19444133 0.79 KDM1A (0.70) HTR2AHTR2CHTR2BKDM1AKCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109775-A1 PYRIMIDINE-ANNULATED TRIAZOLE DERIVATIVES AND THEIR USE IN PLATELET AGGREGATION INHIBITION BEIJING HONGHUI MEDITECH CO., LTD (CN) 2023-06-22 WO disclosed
US-9604991-B2 Preparation method of ticagrelor and intermediates thereof SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-03-28 US 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 (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-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.