SCHEMBL4707133

SCHEMBL4707133

O=C(c1ccccc1Cl)c1ccnnc1-c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1cncnc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORB Q92753 12/20 0.40
RORC P51449 6/20 0.40
IDH1 O75874 1/20 0.36
GRM2 Q14416 1/20 0.35
TACR1 P25103 1/20 0.34
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL4705371 0.93 IDH1 (0.43) RORBRORCIDH1GRM2GPBAR1
SCHEMBL4708209 0.92 RORB (0.39) RORBRORCIDH1GRM2TACR1
SCHEMBL4707650 0.92 RORB (0.41) RORBRORCGRM2
SCHEMBL4705482 0.91 RORB (0.41) RORBRORCIDH1GRM2TACR1
SCHEMBL4708296 0.89 RORB (0.41) RORBRORCIDH1GRM2TACR1
SCHEMBL4707207 0.88 RORB (0.40) RORBRORCIDH1GRM2TACR1
SCHEMBL4706766 0.87 RORB (0.43) RORBRORCIDH1GRM2TACR1
SCHEMBL4706528 0.87 RORB (0.36) RORBRORCIDH1GRM2TACR1
SCHEMBL4708122 0.86 RORB (0.39) RORBRORCIDH1GRM2
SCHEMBL4705502 0.85 RORB (0.39) RORBRORCGRM2TACR1HTT

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
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US claimed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP claimed
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 2723/4885IDH1 1082/4885

“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.