SCHEMBL808747

SCHEMBL808747

CC1CC1c1ccc(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
SCHEMBL20997590 1.00 HTR2A (0.55) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL808663 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752506-B1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS UNIV LIEGE (BE) 2022-12-14 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
WO-2019158655-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS UNIVERSITE DE LIEGE (BE) 2019-08-22 WO disclosed
EP-3527571-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTION Université de Liège (BE) 2019-08-21 EP disclosed
US-8883771-B2 Bivalent inhibitors of IAP proteins and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-11 US disclosed
US-20140057924-A1 BIVALENT INHIBITORS OF IAP PROTEINS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-02-27 US disclosed
US-8026396-B2 Processes for the preparation of optically active intermediates ASTRAZENECA AB (SE) 2011-09-27 US disclosed
US-20110137056-A1 Chemical Process For Preparation Of Intermediates ASTRAZENECA AB (SE) 2011-06-09 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-20100331575-A1 Processes For The Preparation Of Optically Active Intermediates ASTRAZENECA AB (SE) 2010-12-30 US disclosed
US-7790927-B2 Using hypochlorite in water in presence of alkali metal hydroxide ASTRAZENECA AB (SE) 2010-09-07 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
US-20080071114-A1 Processes For The Preparation Of Optically Active Intermediates ASTRAZENECA AB (SE) 2008-03-20 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 (5 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-20080071114-A1 Processes For The Preparation Of Optically Active Intermediates DHPS, CYP1B1, CYP2S1 HTR2A 302/4885HTR2C 118/4885HTR2B 321/4885
US-20100331575-A1 Processes For The Preparation Of Optically Active Intermediates DHPS, CYP1B1, CYP2S1 HTR2A 302/4885HTR2C 118/4885HTR2B 321/4885
US-20110137056-A1 Chemical Process For Preparation Of Intermediates DHPS, CYP3A5, CYP3A43 HTR2A 3056/4885HTR2C 2268/4885HTR2B 3200/4885
US-20140057924-A1 BIVALENT INHIBITORS OF IAP PROTEINS AND THERAPEUTIC METHODS USING THE SAME BIRC2, BIRC5, BIRC7 HTR2A 4412/4885HTR2C 4704/4885HTR2B 4357/4885
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.