SCHEMBL6693014

SCHEMBL6693014

CN1CCN(c2ccccc2CC2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1.Cc1ccc(C(=O)C(O)(C(=O)O)C(O)(C(=O)O)C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.40
FPR1 P21462 3/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ROCK2 O75116 2/20 0.36
MCHR1 Q99705 1/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARD Q03181 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6693746 0.88 PKM (0.41) FPR2FPR1HDAC1HDAC8HDAC6
SCHEMBL6693015 0.88 PKM (0.41) FPR2FPR1HDAC1HDAC8HDAC6
SCHEMBL5158577 0.86 FPR2 (0.46) FPR2FPR1HDAC1HDAC8HDAC6
SCHEMBL5158579 0.86 FPR2 (0.46) FPR2FPR1HDAC1HDAC8HDAC6
SCHEMBL5160777 0.86 FPR2 (0.46) FPR2FPR1HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL27460761 0.85 FPR2 (0.45) FPR2FPR1HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL6431288 0.85 FPR2 (0.44) FPR2FPR1HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL6431284 0.85 FPR2 (0.44) FPR2FPR1HDAC1HDAC8HDAC6
SCHEMBL1737713 0.81 ROCK2 (0.41) FPR2ROCK2MAPK1ALDH1A1MAPT
SCHEMBL1737717 0.81 ROCK2 (0.41) FPR2ROCK2MAPK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1113015-B1 Optically active 3-((2-piperazinyl-phenyl)methyl)-1-(4-(trifluoromethyl)-phenyl)-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists PFIZER PROD INC (US) 2004-09-15 EP disclosed
US-20030083337-A1 Optically active 3-[(2-piperazinylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists PFIZER PRODUCTS, INC. 2003-05-01 US disclosed
US-20010039280-A1 Optically active 3-[(2-Piperazinylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone compounds as 5-HT 1D receptor selective antagonists PFIZER PRODUCTS INC. 2001-11-08 US disclosed
EP-1113015-A1 Optically active 3-((2-piperazinyl-phenyl)methyl)-1-(4-(trifluoromethyl)-phenyl)-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists Pfizer Products Inc. (US) 2001-07-04 EP 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 (2 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-20010039280-A1 Optically active 3-[(2-Piperazinylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone compounds as 5-HT 1D receptor selective antagonists HTR1D, HTR1A, HTR5A FPR2 539/4885FPR1 253/4885HDAC1 1191/4885
US-20030083337-A1 Optically active 3-[(2-piperazinylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists HTR1D, HTR1A, HTR3D FPR2 568/4885FPR1 224/4885HDAC1 1566/4885

“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.