SCHEMBL4639009

SCHEMBL4639009

CC(O)c1noc(-c2ccccc2Cl)c1C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
CYP19A1 P11511 5/20 0.38
PTGER4 P35408 2/20 0.37
GAA P10253 1/20 0.37
GRM2 Q14416 1/20 0.36
TACR1 P25103 6/20 0.35
AVPR2 P30518 2/20 0.34
AVPR1A P37288 2/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL4637972 0.87 ALDH1A1 (0.44) ALDH1A1TSHRCYP19A1GAAGRM2
SCHEMBL4637790 0.86 ALDH1A1 (0.43) ALDH1A1TSHRCYP19A1GAAGRM2
SCHEMBL4639421 0.86 ALDH1A1 (0.41) ALDH1A1TSHRCYP19A1GAAGRM2
SCHEMBL14587212 0.86 ALDH1A1 (0.41) ALDH1A1TSHRCYP19A1GAAGRM2
SCHEMBL4709706 0.85 ALDH1A1 (0.42) ALDH1A1TSHRCYP19A1GAAGRM2
SCHEMBL4638499 0.85 ALDH1A1 (0.40) ALDH1A1TSHRCYP19A1PTGER4GAA
SCHEMBL4706801 0.85 ALDH1A1 (0.42) ALDH1A1TSHRCYP19A1GAAGRM2
SCHEMBL4639386 0.84 ALDH1A1 (0.40) ALDH1A1TSHRCYP19A1PTGER4GAA
SCHEMBL4637902 0.83 ALDH1A1 (0.40) ALDH1A1TSHRCYP19A1GAAGRM2
SCHEMBL4639476 0.82 GPBAR1 (0.38) ALDH1A1TSHRCYP19A1GAAGRM2

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 ALDH1A1 1988/4885TSHR 337/4885CYP19A1 2765/4885

“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.