SCHEMBL5513575

SCHEMBL5513575

CC[C@@H]1CC(=O)N1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
CCR1 P32246 1/20 0.40
CCR2 P41597 1/20 0.40
GRM2 Q14416 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
AADAT Q8N5Z0 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
P2RX7 Q99572 1/20 0.36
PTGER3 P43115 1/20 0.36

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
SCHEMBL5509172 1.00 AR (0.40) ARCCR1CCR2GRM2GSK3A
SCHEMBL5509169 1.00 AR (0.40) ARCCR1CCR2GRM2GSK3A
SCHEMBL9892985 0.85 PTGER2 (0.48) CCR1CCR2GRM2GSK3AGSK3B
SCHEMBL14509051 0.81 KDM1A (0.37) CCR1CCR2GRM2GSK3AGSK3B
SCHEMBL5356806 0.78 IDH1 (0.42) ARCCR1CCR2GRM2GSK3A
SCHEMBL5355389 0.78 IDH1 (0.42) ARCCR1CCR2GRM2GSK3A
SCHEMBL10004264 0.73 BCHE (0.40) CCR1CCR2ALDH1A1MAPTATM
SCHEMBL16480454 0.70 NPC1 (0.49) ARCCR1CCR2GRM2GSK3A
SCHEMBL5370694 0.70 KDM1A (0.35) ARGRM2GSK3AGSK3BMAPT
SCHEMBL5359605 0.70 KDM1A (0.35) ARGRM2GSK3AGSK3BMAPT

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
US-7223859-B2 Method for producing (R)-3-[4-(trifluoromethyl) phenylamino]-pentanoic acid amide derivative PFIZER INC. (US) 2007-05-29 US claimed
EP-1604975-A1 PROCESSES FOR PRODUCTION OF (R)-3- 4-(TRIFLUOROMETHYL)- PHEN YLAMINO PENTANAMIDE DERIVATIVES KANEKA CORPORATION (JP) 2005-12-14 EP claimed
US-20040199005-A1 Method for producing (R) -3- [4- (trifluoromethyl) phenylamino] -pentanoic acid amide derivative KANEKA CORPORATION (JP) 2004-10-07 US claimed
US-7223859-B2 Method for producing (R)-3-[4-(trifluoromethyl) phenylamino]-pentanoic acid amide derivative PFIZER INC. (US) 2007-05-29 US disclosed
US-7223859-B2 Method for producing (R)-3-[4-(trifluoromethyl) phenylamino]-pentanoic acid amide derivative PFIZER INC. (US) 2007-05-29 US disclosed
US-7223859-B2 Method for producing (R)-3-[4-(trifluoromethyl) phenylamino]-pentanoic acid amide derivative PFIZER INC. (US) 2007-05-29 US disclosed
US-7223859-B2 Method for producing (R)-3-[4-(trifluoromethyl) phenylamino]-pentanoic acid amide derivative PFIZER INC. (US) 2007-05-29 US disclosed
EP-1604975-A4 PROCESSES FOR PRODUCTION OF (R)-3- 4-(TRIFLUOROMETHYL)- PHEN YLAMINO PENTANAMIDE DERIVATIVES KANEKA CORP (JP) 2006-11-02 EP disclosed
EP-1604975-A1 PROCESSES FOR PRODUCTION OF (R)-3- 4-(TRIFLUOROMETHYL)- PHEN YLAMINO PENTANAMIDE DERIVATIVES KANEKA CORPORATION (JP) 2005-12-14 EP disclosed
EP-1604975-A1 PROCESSES FOR PRODUCTION OF (R)-3- 4-(TRIFLUOROMETHYL)- PHEN YLAMINO PENTANAMIDE DERIVATIVES KANEKA CORPORATION (JP) 2005-12-14 EP disclosed
US-20040199005-A1 Method for producing (R) -3- [4- (trifluoromethyl) phenylamino] -pentanoic acid amide derivative KANEKA CORPORATION (JP) 2004-10-07 US disclosed
US-20040199005-A1 Method for producing (R) -3- [4- (trifluoromethyl) phenylamino] -pentanoic acid amide derivative KANEKA CORPORATION (JP) 2004-10-07 US disclosed
WO-2004083166-A1 PROCESSES FOR PRODUCTION OF (R)-3-[4-(TRIFLUOROMETHYL)- PHENYLAMINO]PENTANAMIDE DERIVATIVES KANEKA CORPORATION (JP) 2004-09-30 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-20040199005-A1 Method for producing (R) -3- [4- (trifluoromethyl) phenylamino] -pentanoic acid amide derivative CETP, PCTP, MTTP AR 4000/4885CCR1 3003/4885CCR2 2379/4885

“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.