SCHEMBL4638859

SCHEMBL4638859

COC(=O)c1ncn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
TACR1 P25103 9/20 0.41
IDO1 P14902 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAD52 P43351 1/20 0.39

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
SCHEMBL4637994 0.89 CFTR (0.43) SMN1; SMN2KDM4EHTTKCNH2
SCHEMBL4637805 0.88 GAA (0.52) SMN1; SMN2KDM4EHTTALDH1A1GAA
SCHEMBL4637930 0.87 TACR1 (0.43) SMN1; SMN2KDM4EHTTALDH1A1GAA
SCHEMBL4639437 0.85 TACR1 (0.43) ALDH1A1GAATACR1
SCHEMBL4707976 0.80 CYP19A1 (0.57) SMN1; SMN2KDM4EALDH1A1GAATSHR
SCHEMBL5632658 0.80 KDM4E (0.44) SMN1; SMN2KDM4EHTTALDH1A1TACR1
SCHEMBL4637934 0.77 TACR1 (0.41) SMN1; SMN2KDM4EALDH1A1GAATACR1
SCHEMBL4638629 0.77 HCRTR1 (0.44) SMN1; SMN2KDM4EHTTALDH1A1GAA
SCHEMBL4637729 0.76 PTGDR2 (0.41) SMN1; SMN2KDM4EHTTALDH1A1GAA
SCHEMBL5795140 0.76 KDM4E (0.46) SMN1; SMN2KDM4EHTTALDH1A1KMT2A

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 8 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
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US 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
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 WO disclosed
WO-2003091227-A1 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 (2 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 SMN1; SMN2 2953/4885KDM4E 2874/4885HTT 1680/4885
US-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 SMN1; SMN2 2813/4885KDM4E 2816/4885HTT 1583/4885

“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.