SCHEMBL3689961

SCHEMBL3689961

C=Cc1ccc(C(F)(F)F)cc1C(O)C=C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.40
KDM4E B2RXH2 1/20 0.38
TRPV6 Q9H1D0 2/20 0.37
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.35
BACE1 P56817 1/20 0.34
MGLL Q99685 2/20 0.33
TGM2 P21980 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PNMT P11086 1/20 0.33
EPHX2 P34913 1/20 0.33
SCN4A P35499 1/20 0.33
PKM P14618 1/20 0.33
CES2 O00748 2/20 0.33
PTGS1 P23219 1/20 0.32

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
SCHEMBL8956691 0.83 PDE2A (0.47) PDE2ATRPV6ORAI1ORAI2ORAI3
SCHEMBL9996686 0.74 PDE2A (0.49) PDE2AKDM4EBACE1CYP1A2CYP2D6
Hydroxyamine SCHEMBL28660962 0.74 PDE2A (0.49) PDE2AKDM4ESCN10ABACE1CYP1A2
SCHEMBL28440353 0.74 MGLL (0.42) PDE2AKDM4ETRPV6ORAI1ORAI2
SCHEMBL29122745 0.73 POLB (0.38) KDM4EBACE1TGM2EPHX2SCN4A
SCHEMBL13967832 0.73 TP53 (0.35) KDM4ETRPV6ORAI1ORAI2ORAI3
SCHEMBL25026056 0.72 CYP1A1 (0.43) PDE2AKDM4ESCN10ABACE1EPHX2
SCHEMBL4076004 0.72 CES2 (0.46) PDE2AKDM4EBACE1TGM2EPHX2
SCHEMBL13523746 0.72 PDE2A (0.46) PDE2AKDM4EBACE1EPHX2SCN4A
SCHEMBL30233883 0.72 CYP1A1 (0.43) PDE2AKDM4ESCN10ABACE1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067921-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2015-06-30 US disclosed
US-9067921-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2015-06-30 US disclosed
US-20140155404-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION (US) 2014-06-05 US disclosed
US-20140155404-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION (US) 2014-06-05 US disclosed
US-8680104-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680104-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2014-03-25 US disclosed
EP-1734966-B1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORP (US) 2013-07-31 EP disclosed
EP-1734966-B1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORP (US) 2013-07-31 EP disclosed
US-20120295912-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION (US) 2012-11-22 US disclosed
US-20120295912-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION (US) 2012-11-22 US disclosed
US-8268826-B2 5-({4-[(3S)-4-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl}carbonyl)-4,6-dimethylpyrimidine; inflammatory diseases, immune diseases and viral infections; HIV INCYTE CORPORATION (US) 2012-09-18 US disclosed
US-8268826-B2 5-({4-[(3S)-4-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl}carbonyl)-4,6-dimethylpyrimidine; inflammatory diseases, immune diseases and viral infections; HIV INCYTE CORPORATION (US) 2012-09-18 US disclosed
US-8268826-B2 5-({4-[(3S)-4-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl}carbonyl)-4,6-dimethylpyrimidine; inflammatory diseases, immune diseases and viral infections; HIV INCYTE CORPORATION (US) 2012-09-18 US disclosed
US-7678798-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2010-03-16 US disclosed
US-7678798-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2010-03-16 US disclosed
US-7678798-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2010-03-16 US disclosed
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION 2009-08-06 US disclosed
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION 2009-08-06 US disclosed
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION 2009-08-06 US disclosed
US-20050261310-A1 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION 2005-11-24 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 (4 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-20050261310-A1 Piperazinylpiperidine derivatives as chemokine receptor antagonists CCR5, CCR2, CXCR5 PDE2A 659/4885KDM4E 3844/4885TRPV6 171/4885
US-20140155404-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS CCR5, CCR2, CXCR5 PDE2A 659/4885KDM4E 3844/4885TRPV6 171/4885
US-20120295912-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS CCR5, CCR2, CXCR5 PDE2A 659/4885KDM4E 3844/4885TRPV6 171/4885
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS CCR5, CCR2, CXCR5 PDE2A 659/4885KDM4E 3844/4885TRPV6 171/4885

“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.