SCHEMBL4707976

SCHEMBL4707976

COC(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.57
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.43
AKR1C3 P42330 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4637752 0.89 CYP19A1 (0.74) CYP19A1SMN1; SMN2CYP1A2ALDH1A1GAA
SCHEMBL4637999 0.89 IDH1 (0.46) CYP19A1SMN1; SMN2CYP1A2ALDH1A1GAA
SCHEMBL4638473 0.88 ALDH1A1 (0.65) CYP19A1SMN1; SMN2ALDH1A1GAATSHR
SCHEMBL4706776 0.86 ALDH1A1 (0.54) CYP19A1SMN1; SMN2ALDH1A1GAATSHR
SCHEMBL4639419 0.86 CYP19A1 (0.41) CYP19A1SMN1; SMN2CYP1A2ALDH1A1TSHR
SCHEMBL4638842 0.85 CYP19A1 (0.48) CYP19A1ALDH1A1GAATSHRPOLB
SCHEMBL4708362 0.84 ALDH1A1 (0.56) CYP19A1SMN1; SMN2ALDH1A1GAATSHR
SCHEMBL4707735 0.83 TACR1 (0.52) CYP19A1ALDH1A1GAATSHR
SCHEMBL4706773 0.83 ALDH1A1 (0.49) CYP19A1SMN1; SMN2ALDH1A1GAATSHR
SCHEMBL4706895 0.82 SMN1; SMN2 (0.53) CYP19A1SMN1; SMN2ALDH1A1GAAMEN1

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 CYP19A1 2876/4885SMN1; SMN2 4876/4885CYP1A2 2348/4885

“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.