SCHEMBL4759328

SCHEMBL4759328

Cc1c(-c2ncccc2C(=O)c2ccccc2Cl)nnn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORB Q92753 10/20 0.43
RORC P51449 5/20 0.40
TACR1 P25103 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKR1C3 P42330 2/20 0.35
GAA P10253 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
AKR1C2 P52895 1/20 0.35
PTGER4 P35408 1/20 0.34
P2RX1 P51575 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 1/20 0.34
TMPRSS4 Q9NRS4 1/20 0.34

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
SCHEMBL4708293 0.95 RORB (0.40) RORBRORCTACR1GPBAR1GAA
SCHEMBL4706973 0.93 RORB (0.44) RORBRORCKDM4EHTTSMN1; SMN2
SCHEMBL4705502 0.90 RORB (0.39) RORBRORCTACR1KDM4EHTT
SCHEMBL4705134 0.88 RORB (0.45) RORBRORCHTTSMN1; SMN2PTGDR2
SCHEMBL4708736 0.88 RORB (0.49) RORBRORCSMN1; SMN2PTGDR2P2RX7
SCHEMBL4707172 0.87 RORB (0.46) RORBRORCGAAPTGER4
SCHEMBL4707181 0.87 RORB (0.40) RORBRORCTACR1KDM4EHTT
SCHEMBL4708328 0.87 RORB (0.41) RORBRORCTACR1KDM4EHTT
SCHEMBL4707848 0.86 RORB (0.41) RORBRORCTACR1GPBAR1SMN1; SMN2
Tradipitant SCHEMBL2898629 0.86 RORB (0.42) RORBRORCTACR1

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 disclosed
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US 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-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 2723/4885TACR1 1/4885

“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.