SCHEMBL4706801

SCHEMBL4706801

O=CCc1noc(-c2ccccc2Cl)c1C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.37
CYP19A1 P11511 5/20 0.36
GRM2 Q14416 2/20 0.36
TACR1 P25103 6/20 0.34
IDH1 O75874 1/20 0.34
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
POLB P06746 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 0.92 ALDH1A1 (0.44) ALDH1A1TSHRGAACYP19A1GRM2
SCHEMBL4709706 0.90 ALDH1A1 (0.42) ALDH1A1TSHRGAACYP19A1GRM2
SCHEMBL4637790 0.89 ALDH1A1 (0.43) ALDH1A1TSHRGAACYP19A1GRM2
SCHEMBL4705246 0.89 TACR1 (0.36) TACR1AVPR2AVPR1AGPBAR1
SCHEMBL4705935 0.89 AVPR2 (0.34) TACR1IDH1AVPR2AVPR1AGPBAR1
SCHEMBL4638055 0.88 ALDH1A1 (0.38) ALDH1A1TSHRGAAGRM2TACR1
SCHEMBL4637902 0.87 ALDH1A1 (0.40) ALDH1A1TSHRGAACYP19A1GRM2
SCHEMBL4639379 0.87 ALDH1A1 (0.38) ALDH1A1TSHRGAACYP19A1GRM2
SCHEMBL4638499 0.87 ALDH1A1 (0.40) ALDH1A1TSHRGAACYP19A1GRM2
SCHEMBL4637976 0.86 IDH1 (0.43) ALDH1A1TSHRGRM2IDH1GPBAR1

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-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP claimed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 WO 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 ALDH1A1 1408/4885TSHR 251/4885GAA 3405/4885

“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.