SCHEMBL5796871

SCHEMBL5796871

CN(Cc1ccccc1)C(=O)c1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.50
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL5795073 0.79 HSP90AA1 (0.53) HSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL5794842 0.77 LIMK1 (0.50) HSP90AA1ALDH1A1LMNA
SCHEMBL2378228 0.76 P2RX1 (0.53) ALDH1A1LMNA
SCHEMBL10666350 0.75 GPR55 (0.54) ALDH1A1LMNA
SCHEMBL5797317 0.75 HSP90AA1 (0.58) HSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL5793740 0.73 ALDH1A1 (0.64) HSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL10667310 0.71 CA5A (0.57)
SCHEMBL6072189 0.71 CYP19A1 (0.48) TACR1ALDH1A1
SCHEMBL9989826 0.70 CYP19A1 (0.66) HSP90AA1HSP90AB1
SCHEMBL24208572 0.69 TGM2 (0.66) HSP90AA1HSP90AB1ALDH1A1LMNA

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-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 TACR1 1/4885HSP90AA1 2007/4885HSP90AB1 1962/4885

“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.