SCHEMBL4708221

SCHEMBL4708221

O=C(c1ccccc1Cl)c1c(CO)noc1-c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORB Q92753 9/20 0.37
RORC P51449 5/20 0.37
TACR1 P25103 4/20 0.35
GRM2 Q14416 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 1/20 0.33
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
P2RX1 P51575 1/20 0.32
P2RX4 Q99571 1/20 0.32
P2RX7 Q99572 1/20 0.32
TMPRSS4 Q9NRS4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL4705298 0.93 RORB (0.36) RORBRORCTACR1GRM2AKR1C3
SCHEMBL4638836 0.90 RORB (0.37) RORBRORCTACR1GRM2
SCHEMBL4707974 0.90 TACR1 (0.38) RORBRORCTACR1GRM2AKR1C3
SCHEMBL4639414 0.88 MAPK1 (0.36) RORBRORCTACR1GRM2
SCHEMBL4705167 0.87 NTRK1 (0.34) RORBRORCTACR1THRBP2RX7
SCHEMBL4708201 0.87 TSHR (0.35) MAPTTHRBKDM4ESMN1; SMN2KMT2A
SCHEMBL4708267 0.85 RORB (0.38) RORBRORCTACR1GRM2AKR1C3
SCHEMBL4708167 0.84 RORB (0.36) RORBRORCTACR1GRM2
SCHEMBL4706589 0.83 TACR1 (0.37) RORBRORCTACR1GRM2KDM4E
SCHEMBL4705059 0.83 TACR1 (0.36) TACR1GRM2AKR1C3AKR1C2MAPT

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 3 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

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.