SCHEMBL4671813

SCHEMBL4671813

O=C(c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1N1CCSCC1)c1c(CO)noc1-c1ccccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
GRM2 Q14416 1/20 0.31
TACR3 P29371 4/20 0.31
KDM4E B2RXH2 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
USP2 O75604 2/20 0.31
CYP2D6 P10635 1/20 0.31
POLB P06746 1/20 0.31
EPAS1 Q99814 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4708336 0.95 TACR1 (0.32) TACR1MAPTTP53GRM2TACR3
SCHEMBL4708316 0.92 TACR1 (0.33) TACR1MAPTTP53GRM2TACR3
SCHEMBL4639351 0.91 USP2 (0.39) TACR1MAPTTP53TACR3GPBAR1
SCHEMBL4706174 0.87 ALDH1A1 (0.33) TACR1MAPTGRM2TACR3EPAS1
SCHEMBL4705059 0.86 TACR1 (0.36) TACR1MAPTTP53GRM2KDM4E
SCHEMBL4707994 0.86 TACR1 (0.33) TACR1MAPTTP53GRM2TACR3
SCHEMBL4758302 0.85 TACR1 (0.37) TACR1MAPTTP53GRM2KDM4E
SCHEMBL4707466 0.84 TACR1 (0.32) TACR1MAPTTACR3EPAS1ALDH1A1
SCHEMBL4638797 0.84 GPBAR1 (0.36) TACR1MAPTTP53GRM2GPBAR1
SCHEMBL4637972 0.83 ALDH1A1 (0.44) TACR1GRM2ALDH1A1

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 8 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-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 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 (2 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 TACR1 1/4885MAPT 4635/4885TP53 3854/4885
US-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 TACR1 2/4885MAPT 3592/4885TP53 4050/4885

“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.