SCHEMBL4941200

SCHEMBL4941200

C[C@@H](O[C@H]1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)O)C2)C[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.67
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
SCHEMBL4947729 1.00 TACR1 (0.67) TACR1KCNH2
SCHEMBL4944034 1.00 TACR1 (0.67) TACR1KCNH2
SCHEMBL4946374 0.96 TACR1 (0.70) TACR1KCNH2
SCHEMBL4946379 0.96 TACR1 (0.70) TACR1KCNH2
SCHEMBL5199792 0.90 TACR1 (0.72) TACR1KCNH2
SCHEMBL5199796 0.90 TACR1 (0.72) TACR1KCNH2
SCHEMBL5199798 0.90 TACR1 (0.72) TACR1KCNH2
SCHEMBL5199388 0.90 TACR1 (0.62) TACR1
SCHEMBL5198157 0.90 TACR1 (0.62) TACR1
SCHEMBL5199563 0.90 TACR1 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076783-A1 Cycloalkyl Keto Piperidine Tachykinin Receptor Antagonists MERCK & CO., INC. (US) 2008-03-27 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-20080076783-A1 Cycloalkyl Keto Piperidine Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 TACR1 1/4885KCNH2 70/4885

“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.