SCHEMBL4637802

SCHEMBL4637802

CN(C)c1c(C(=O)c2onc(CCO)c2-c2ccccc2Cl)nnn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.39
GPBAR1 Q8TDU6 6/20 0.36
TACR3 P29371 6/20 0.35
GRM2 Q14416 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL4708775 0.89 TACR1 (0.39) TACR1GPBAR1TACR3GRM2TP53
SCHEMBL4707071 0.84 TACR1 (0.40) TACR1GPBAR1TACR3GRM2TP53
SCHEMBL4708153 0.79 TACR1 (0.39) TACR1GPBAR1TACR3TP53
SCHEMBL4705619 0.78 TACR1 (0.36) TACR1GPBAR1TACR3GRM2TP53
SCHEMBL4706589 0.78 TACR1 (0.37) TACR1GPBAR1GRM2
SCHEMBL4708206 0.78 TACR1 (0.35) TACR1GPBAR1TACR3GRM2TP53
SCHEMBL4637843 0.77 GPBAR1 (0.38) TACR1GPBAR1TACR3
SCHEMBL4709642 0.77 ALDH1A1 (0.37) TACR1GRM2
SCHEMBL4638843 0.77 IDH1 (0.44) GPBAR1GRM2
SCHEMBL4709706 0.75 ALDH1A1 (0.42) TACR1GPBAR1GRM2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091227-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 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-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 TACR1 2/4885GPBAR1 101/4885TACR3 23/4885

“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.