SCHEMBL4501366

SCHEMBL4501366

Cc1c(Cl)c(C(F)(F)F)nn1/C=C\C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 16/20 0.46
ENPP2 Q13822 1/20 0.40
FPR2 P25090 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
SPR P35270 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.35

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
SCHEMBL4506600 1.00 CCR1 (0.46) CCR1ENPP2FPR2PROKR1SPR
SCHEMBL4501369 1.00 CCR1 (0.46) CCR1ENPP2FPR2PROKR1SPR
SCHEMBL4511596 0.81 CCR1 (0.69) CCR1CYP2C19KCNH2
SCHEMBL4517149 0.80 CCR1 (0.59) CCR1CYP2C19KCNH2
SCHEMBL5311863 0.75 CCR1 (0.42) CCR1FPR2PROKR1CYP2C19KCNH2
SCHEMBL4503990 0.68 KDM4E (0.48) CCR1CYP2C19KCNH2
SCHEMBL4496602 0.68 KDM4E (0.48) CCR1CYP2C19KCNH2
SCHEMBL4496606 0.68 KDM4E (0.48) CCR1CYP2C19KCNH2
SCHEMBL27967465 0.68 CYP46A1 (0.48) KCNH2CYP46A1
SCHEMBL4634537 0.67 CYP46A1 (0.50) CYP2C19KCNH2CYP46A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576106-B2 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
US-7576106-B2 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
US-7576106-B2 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
US-20070093467-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-26 US disclosed
US-20070093467-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-26 US disclosed
US-20070093467-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-26 US disclosed
WO-2007044885-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 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 (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-20070093467-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 CCR1 1/4885ENPP2 876/4885FPR2 62/4885

“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.