SCHEMBL6072189

SCHEMBL6072189

CN(Cc1ccccc1)C(=O)c1nnn(Cc2cccc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TACR1 P25103 8/20 0.47
POLB P06746 2/20 0.47
PTGER4 P35408 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
PDK1 Q15118 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5821365 0.82 TACR1 (0.46) CYP19A1TACR1ALDH1A1TSHR
N-Benzylmethylamine SCHEMBL5796449 0.80 POLB (0.54) CYP19A1SMN1; SMN2POLBPTGER4TP53
SCHEMBL4638842 0.79 CYP19A1 (0.48) CYP19A1TACR1POLBALDH1A1TSHR
SCHEMBL4639523 0.78 MAPT (0.46) CYP19A1SMN1; SMN2POLBPTGER4TP53
SCHEMBL4638473 0.77 ALDH1A1 (0.65) CYP19A1SMN1; SMN2POLBPTGER4ALDH1A1
SCHEMBL9912521 0.76 POLB (0.58) POLBPTGER4ALDH1A1AKR1C3AKR1C2
SCHEMBL4638668 0.76 POLB (0.51) CYP19A1SMN1; SMN2POLBPTGER4TP53
SCHEMBL4706776 0.76 ALDH1A1 (0.54) CYP19A1SMN1; SMN2POLBPTGER4ALDH1A1
SCHEMBL4706773 0.74 ALDH1A1 (0.49) CYP19A1SMN1; SMN2POLBPTGER4ALDH1A1
SCHEMBL4707976 0.74 CYP19A1 (0.57) CYP19A1SMN1; SMN2POLBMAPTALDH1A1

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 1 patent. 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

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 CYP19A1 2652/4885SMN1; SMN2 2953/4885TACR1 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.