SCHEMBL4637748

SCHEMBL4637748

CCOC(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.48
TP53 P04637 2/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AKR1C3 P42330 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4637791 0.89 CYP19A1 (0.47) CYP19A1TP53SMN1; SMN2MAPTKMT2A
SCHEMBL4638906 0.88 CYP19A1 (0.49) CYP19A1TP53SMN1; SMN2MAPTKMT2A
SCHEMBL5797501 0.87 CYP19A1 (0.46) CYP19A1TP53SMN1; SMN2MAPTKMT2A
SCHEMBL4639498 0.85 ALDH1A1 (0.44) TP53SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL5793833 0.83 CYP19A1 (0.43) CYP19A1TP53SMN1; SMN2MAPTKMT2A
SCHEMBL4637752 0.83 CYP19A1 (0.74) CYP19A1TP53ALOX12SMN1; SMN2MAPT
SCHEMBL4639420 0.82 CYP19A1 (0.60) CYP19A1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL25333493 0.81 CYP19A1 (0.56) CYP19A1TP53ALOX12SMN1; SMN2MAPT
SCHEMBL5797387 0.80 CYP19A1 (0.57) CYP19A1TP53ALOX12SMN1; SMN2MAPT
SCHEMBL6071984 0.80 CYP19A1 (0.52) CYP19A1TP53ALOX12SMN1; SMN2MAPT

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
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
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 CYP19A1 2652/4885TP53 3863/4885ALOX12 2212/4885

“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.