SCHEMBL5820443

SCHEMBL5820443

O=Cc1cc(-n2nnnc2C(F)(F)F)ccc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.36
NOTUM Q6P988 1/20 0.34
SCN5A Q14524 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33

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
SCHEMBL310305 0.88 TACR1 (0.44) TACR1ALDH1A1MAPTHPGD
SCHEMBL3821496 0.85 TACR1 (0.37) TACR1
SCHEMBL8706262 0.84 TACR1 (0.37) TACR1NOTUMALDH1A1HSP90AA1MAPT
SCHEMBL4203119 0.84 TACR1 (0.43) TACR1
SCHEMBL7193387 0.83 TACR1 (0.41) TACR1
SCHEMBL5815553 0.83 TACR1 (0.44) TACR1
SCHEMBL8322001 0.82 TACR1 (0.38) TACR1MAPT
SCHEMBL6580528 0.82 TACR1 (0.41) TACR1
SCHEMBL6541742 0.82 PTGDR2 (0.48) TACR1
SCHEMBL7193383 0.82 TACR1 (0.40) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006115286-A1 PIPERIDINE DERIVATIVES, CRYSTAL, PROCESS FOR PRODUCING THE SAME, AND USE AS TACHIKININ RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-02 WO disclosed
US-20060241145-A1 Piperidine derivative crystal, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 US 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-20060241145-A1 Piperidine derivative crystal, process for producing the same, and use PKD2, PKD1, TACR1 TACR1 3/4885NOTUM 1415/4885SCN5A 559/4885

“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.