SCHEMBL4639427

SCHEMBL4639427

O=C(c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1cnccn1)c1c(-c2ccccc2Cl)noc1CO

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.38
GPBAR1 Q8TDU6 11/20 0.37
ALDH1A1 P00352 2/20 0.34
NLRP3 Q96P20 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.33
RECQL P46063 1/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL4637809 0.89 EPAS1 (0.36) EPAS1GPBAR1ALDH1A1NLRP3MAPT
SCHEMBL4637937 0.89 IDH1 (0.43) EPAS1GPBAR1ALDH1A1MAPTTSHR
SCHEMBL4706457 0.87 ALDH1A1 (0.44) EPAS1GPBAR1ALDH1A1NLRP3MAPT
SCHEMBL4707570 0.87 GPBAR1 (0.37) GPBAR1MEN1USP2CYP3A4KMT2A
SCHEMBL4639407 0.86 EPAS1 (0.37) EPAS1GPBAR1ALDH1A1NLRP3MAPT
SCHEMBL4707134 0.86 EPAS1 (0.40) EPAS1GPBAR1ALDH1A1NLRP3MAPT
SCHEMBL4707053 0.84 GPBAR1 (0.34) GPBAR1MEN1USP2CYP3A4KMT2A
SCHEMBL4705935 0.83 AVPR2 (0.34) GPBAR1MEN1USP2CYP3A4KMT2A
SCHEMBL4707561 0.81 GPBAR1 (0.34) GPBAR1MEN1USP2CYP3A4KMT2A
SCHEMBL4637876 0.81 EPAS1 (0.39) EPAS1GPBAR1ALDH1A1NLRP3MAPT

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 7 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-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-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 2885/4885GPBAR1 101/4885ALDH1A1 1988/4885

“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.