SCHEMBL5163786

SCHEMBL5163786

CN1CCN(c2ncccc2CC2CCCN(c3ccc(OC(F)(F)F)cc3)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 6/20 0.40
TRPV4 Q9HBA0 4/20 0.40
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
ROS1 P08922 1/20 0.37
ALK Q9UM73 1/20 0.37
MCHR1 Q99705 4/20 0.37
FPR2 P25090 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
SCHEMBL5166513 0.87 ELANE (0.41)
SCHEMBL5165708 0.86 FPR2 (0.40) FPR2
SCHEMBL5163829 0.85 FPR2 (0.41) FPR2
SCHEMBL5167396 0.82 FPR2 (0.43) TRPV4FPR2
SCHEMBL22411045 0.82 ELANE (0.36) FPR2
SCHEMBL5167675 0.82 ELANE (0.35) FPR2
SCHEMBL5163750 0.81 ELANE (0.36) FPR2
SCHEMBL5166258 0.81 ELANE (0.36) FPR2
SCHEMBL5166374 0.81 ELANE (0.38) FPR2
SCHEMBL5166623 0.81 ROCK2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders PFIZER INC 2006-02-02 US claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
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 LIPE 4368/4885TRPV4 642/4885SCN2A 205/4885

“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.