SCHEMBL3683402

SCHEMBL3683402

C=CCc1cc(C(F)(F)F)ccc1C=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
CES2 O00748 2/20 0.35
IDO1 P14902 2/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TGM2 P21980 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
DCTPP1 Q9H773 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
SRD5A2 P31213 1/20 0.32
EPHX2 P34913 1/20 0.32
SCN4A P35499 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
SCHEMBL3678271 0.86 IDO1 (0.37) CES2IDO1BACE1KDM4ECYP3A4
SCHEMBL23938540 0.78 CYP3A4 (0.37) CES2IDO1CYP3A4CYP2D6TGM2
SCHEMBL9952943 0.78 POLB (0.39) POLBMAPTCES2IDO1LMNA
Formic Acid SCHEMBL15743052 0.78 GABRA1 (0.53) POLBMAPTCES2LMNAKDM4E
SCHEMBL28935336 0.77 ALDH1A1 (0.37) POLBMAPTLMNASMN1; SMN2KDM4E
SCHEMBL957709 0.77 PPARA (0.41) POLBMAPTIDO1LMNASMN1; SMN2
SCHEMBL18587153 0.76 IDO1 (0.37) MAPTCES2IDO1CYP3A4CYP2D6
SCHEMBL20751779 0.76 PDE2A (0.38) POLBCES2IDO1CYP3A4CYP2D6
SCHEMBL1400362 0.76 GABRA1 (0.59) POLBMAPTLMNAKDM4EGABRA1
SCHEMBL18586382 0.76 IDO1 (0.40) MAPTIDO1LMNABACE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023184327-A1 KINASE INHIBITORS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-10-05 WO disclosed
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-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
EP-1734966-A4 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORP (US) 2009-04-22 EP disclosed
EP-1734966-A2 PIPERIZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS Incyte Corporation (US) 2006-12-27 EP disclosed
US-20050261310-A1 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION 2005-11-24 US disclosed
WO-2005101838-A2 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION (US) 2005-10-27 WO 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 POLB 2196/4885MAPT 4276/4885CES2 1481/4885
US-20140155404-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS CCR5, CCR2, CXCR5 POLB 2196/4885MAPT 4276/4885CES2 1481/4885
US-20120295912-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS CCR5, CCR2, CXCR5 POLB 2196/4885MAPT 4276/4885CES2 1481/4885
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS CCR5, CCR2, CXCR5 POLB 2196/4885MAPT 4276/4885CES2 1481/4885

“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.