SCHEMBL3477892

SCHEMBL3477892

CC(=O)OC[C@H]1CC[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)[C@@H]1CO

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.60
KCNH2 Q12809 1/20 0.54

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
SCHEMBL3477895 0.92 TACR1 (0.60) TACR1KCNH2
SCHEMBL3476850 0.90 TACR1 (0.59) TACR1KCNH2
SCHEMBL3177591 0.89 TACR1 (0.67) TACR1KCNH2
SCHEMBL3476336 0.86 TACR1 (0.46) TACR1
SCHEMBL3476074 0.86 TACR1 (0.53) TACR1
SCHEMBL1276300 0.84 TACR1 (0.71) TACR1KCNH2
SCHEMBL5216199 0.84 TACR1 (0.71) TACR1KCNH2
SCHEMBL5216191 0.84 TACR1 (0.71) TACR1KCNH2
SCHEMBL5028826 0.84 TACR1 (0.47) TACR1
SCHEMBL4458814 0.82 TACR1 (0.66) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683068-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-03-23 US disclosed
US-20090054462-A1 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2009-02-26 US disclosed
EP-1898905-A2 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-03-19 EP disclosed
WO-2007002457-A2 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-01-04 WO 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-20090054462-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 TACR1 1/4885KCNH2 113/4885

“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.