SCHEMBL5197489

SCHEMBL5197489

Cc1cc([C@@H](C)O[C@H]2CCNC[C@H]2c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.52
KCNH2 Q12809 1/20 0.46

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
SCHEMBL5197737 0.94 TACR1 (0.58) TACR1KCNH2
SCHEMBL5200387 0.94 TACR1 (0.58) TACR1KCNH2
Hydrochloric Acid SCHEMBL5198756 0.93 TACR1 (0.57) TACR1KCNH2
Hydrochloric Acid SCHEMBL5199752 0.93 TACR1 (0.57) TACR1KCNH2
Hydrochloric Acid SCHEMBL5200525 0.93 TACR1 (0.57) TACR1KCNH2
Hydrochloric Acid SCHEMBL5198234 0.93 TACR1 (0.57) TACR1KCNH2
Hydrochloric Acid SCHEMBL5198242 0.93 TACR1 (0.57) TACR1KCNH2
SCHEMBL3911543 0.84 TACR1 (0.71) TACR1KCNH2
SCHEMBL5010195 0.83 TACR1 (0.60) TACR1KCNH2
Hydrochloric Acid SCHEMBL4944667 0.83 TACR1 (0.70) TACR1KCNH2

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
EP-1790636-A1 PIPERIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-05-30 EP disclosed
US-20060142337-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-29 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-20060142337-A1 Piperidine derivative and use thereof AR, AHR, ARNT TACR1 364/4885KCNH2 524/4885

“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.