SCHEMBL5126677

SCHEMBL5126677

C[C@@H](O[C@H]1CCN(C2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.59
KCNH2 Q12809 1/20 0.53

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
SCHEMBL5124590 0.88 TACR1 (0.64) TACR1KCNH2
SCHEMBL5096115 0.85 TACR1 (0.61) TACR1KCNH2
SCHEMBL14176823 0.83 TACR1 (0.66) TACR1KCNH2
SCHEMBL14176822 0.82 TACR1 (0.65) TACR1KCNH2
SCHEMBL4317062 0.82 TACR1 (0.74) TACR1
Hydrochloric Acid SCHEMBL5123337 0.81 TACR1 (0.62) TACR1KCNH2
SCHEMBL5117210 0.81 TACR1 (0.61) TACR1KCNH2
Hydrochloric Acid SCHEMBL5129776 0.80 TACR1 (0.60) TACR1KCNH2
SCHEMBL5097047 0.79 TACR1 (0.58) TACR1KCNH2
SCHEMBL5091092 0.79 TACR1 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146588-A1 Piperidinyl Piperidine Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-06-19 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-20080146588-A1 Piperidinyl Piperidine Tachykinin Receptor Antagonists TACR1, NPSR1, TACR2 TACR1 1/4885KCNH2 105/4885

“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.