SCHEMBL4708167

SCHEMBL4708167

O=C(c1ccccc1Cl)c1c(CCO)noc1-c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORB Q92753 8/20 0.36
RORC P51449 5/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
GRM2 Q14416 1/20 0.35
GAA P10253 1/20 0.34
CDC7 O00311 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
PTGER4 P35408 2/20 0.33
TACR1 P25103 5/20 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
SCHEMBL4638836 0.94 RORB (0.37) RORBRORCALDH1A1TSHRGRM2
SCHEMBL4705298 0.91 RORB (0.36) RORBRORCGRM2TACR1
SCHEMBL14303525 0.90 GRM2 (0.34) ALDH1A1GRM2GAACDC7MAP4K4
SCHEMBL4638464 0.90 RORB (0.36) RORBRORCALDH1A1TSHRGRM2
SCHEMBL4705453 0.90 GRM2 (0.34) ALDH1A1GRM2GAACDC7MAP4K4
SCHEMBL4639414 0.89 MAPK1 (0.36) RORBRORCGRM2CDC7TACR1
SCHEMBL4708796 0.88 TACR1 (0.38) RORBRORCALDH1A1TSHRGAA
SCHEMBL4709642 0.88 ALDH1A1 (0.37) RORBRORCALDH1A1TSHRGRM2
SCHEMBL4639361 0.88 PTGER4 (0.34) RORBRORCALDH1A1TSHRGAA
SCHEMBL4706589 0.87 TACR1 (0.37) RORBRORCALDH1A1GRM2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 RORB 2614/4885RORC 2723/4885ALDH1A1 1408/4885

“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.