SCHEMBL5167396

SCHEMBL5167396

CN1CCN(c2ncccc2CC2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.43
TRPV1 Q8NER1 7/20 0.40
ROCK2 O75116 2/20 0.40
HSD11B1 P28845 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
FPR1 P21462 2/20 0.39
TRPV4 Q9HBA0 1/20 0.38
EGFR P00533 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL5166623 0.92 ROCK2 (0.40) TRPV1ROCK2HSD11B1
SCHEMBL5163927 0.90 ROCK2 (0.39) FPR2TRPV1ROCK2
SCHEMBL5165708 0.87 FPR2 (0.40) FPR2TRPV1HSD11B1FPR1
SCHEMBL5163829 0.85 FPR2 (0.41) FPR2ROCK2FPR1
SCHEMBL22410981 0.84 ROCK2 (0.38) ROCK2
SCHEMBL5158579 0.84 FPR2 (0.46) FPR2ROCK2HTR2AHTR6FPR1
SCHEMBL5158577 0.84 FPR2 (0.46) FPR2ROCK2HTR2AHTR6FPR1
SCHEMBL5160777 0.84 FPR2 (0.46) FPR2ROCK2HTR2AHTR6FPR1
SCHEMBL5163793 0.83 ROCK2 (0.42) ROCK2
SCHEMBL5165411 0.83 ROCK2 (0.38) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768975-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Inc. (US) 2007-04-04 EP claimed
US-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders PFIZER INC 2006-02-02 US claimed
WO-2006000912-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-01-05 WO claimed
EP-1768975-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Inc. (US) 2007-04-04 EP disclosed
US-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders PFIZER INC 2006-02-02 US disclosed
WO-2006000912-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-01-05 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-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders TPH2, HTR1A, TPH1 FPR2 354/4885TRPV1 192/4885ROCK2 769/4885

“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.