SCHEMBL4486464

SCHEMBL4486464

FC(F)(F)c1cc(COC2CCN(c3ccccc3)CC2c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.53
TP53 P04637 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GMNN O75496 1/20 0.45
LMNA P02545 1/20 0.45
PMP22 Q01453 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL4486467 1.00 TACR1 (0.53) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4486458 1.00 TACR1 (0.53) TACR1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4476586 0.75 TACR1 (0.50) TACR1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4476588 0.75 TACR1 (0.50) TACR1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4476591 0.75 TACR1 (0.50) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL13629801 0.74 TACR1 (0.65) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4480159 0.71 TACR1 (0.61) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4494065 0.71 TACR1 (0.63) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4474405 0.71 TACR1 (0.61) TACR1
SCHEMBL4480151 0.71 TACR1 (0.61) TACR1TP53CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20060167052-A1 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1553084-A1 PIPERIDINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 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 (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-20060167052-A1 Piperidine derivative, process for producing the same, and use OPRL1, OXTR, OPRM1 TACR1 6/4885TP53 4866/4885CYP1A2 1532/4885

“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.