SCHEMBL3477928

SCHEMBL3477928

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](c2ccccc2C)[C@@H]1CNCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.42

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
SCHEMBL3476074 0.90 TACR1 (0.53) TACR1
SCHEMBL3476336 0.88 TACR1 (0.46) TACR1
SCHEMBL3477649 0.84 TACR1 (0.43) TACR1
SCHEMBL3176548 0.77 TACR1 (0.49) TACR1
SCHEMBL3477302 0.76 TACR1 (0.53) TACR1
SCHEMBL4991723 0.76 TACR1 (0.45) TACR1
SCHEMBL4459165 0.76 TACR1 (0.57) TACR1
SCHEMBL5148043 0.76 TACR1 (0.57) TACR1
SCHEMBL3187855 0.74 TACR1 (0.48) TACR1
SCHEMBL3477892 0.74 TACR1 (0.60) 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 2 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

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 1/4885

“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.