SCHEMBL4637809

SCHEMBL4637809

CC(C)(C)[Si](C)(C)OCc1onc(-c2ccccc2Cl)c1C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1cnccn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.36
ALDH1A1 P00352 3/20 0.34
TACR1 P25103 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GPBAR1 Q8TDU6 8/20 0.33
KDM4E B2RXH2 1/20 0.32
NLRP3 Q96P20 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
RECQL P46063 1/20 0.31
IDH1 O75874 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4637940 0.90 IDH1 (0.41) EPAS1ALDH1A1TACR1MAPTHPGD
SCHEMBL4637701 0.90 GPBAR1 (0.38) EPAS1ALDH1A1TACR1MAPTHPGD
SCHEMBL4639427 0.89 EPAS1 (0.38) EPAS1ALDH1A1MAPTHPGDTSHR
SCHEMBL4637783 0.89 TACR1 (0.41) EPAS1ALDH1A1TACR1MAPTHPGD
SCHEMBL4637747 0.87 EPAS1 (0.38) EPAS1ALDH1A1TACR1MAPTHPGD
SCHEMBL4639407 0.86 EPAS1 (0.37) EPAS1ALDH1A1MAPTHPGDTSHR
SCHEMBL4638834 0.84 TACR1 (0.32) EPAS1TACR1MAPTGPBAR1
SCHEMBL4639367 0.84 TACR1 (0.32) EPAS1TACR1MAPTGPBAR1
SCHEMBL4639007 0.83 GPBAR1 (0.37) EPAS1ALDH1A1TACR1MAPTHPGD
SCHEMBL4639459 0.81 TACR1 (0.34) EPAS1TACR1MAPT

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
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US 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-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 (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-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 EPAS1 2885/4885ALDH1A1 1988/4885TACR1 2/4885

“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.