SCHEMBL4637879

SCHEMBL4637879

CC(c1cccc(C(F)(F)F)c1)n1nnc(C(=O)c2c(-c3ccccc3Cl)noc2C(C)(C)O)c1-c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.40
IDH1 O75874 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GPBAR1 Q8TDU6 4/20 0.34
ADORA3 P0DMS8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
MAPK1 P28482 1/20 0.32
PLAU P00749 1/20 0.32
ELANE P08246 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KCNA5 P22460 1/20 0.32
KIT P10721 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 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
SCHEMBL4637782 0.81 IDH1 (0.42) EPAS1IDH1ALDH1A1GPBAR1ADORA3
SCHEMBL4638539 0.79 IDH1 (0.40) EPAS1IDH1ALDH1A1GPBAR1ADORA3
SCHEMBL14587211 0.74 ALDH1A1 (0.44) IDH1ALDH1A1GPBAR1ADORA3MAPT
SCHEMBL4638005 0.73 GPBAR1 (0.40) EPAS1IDH1ALDH1A1GPBAR1MAPT
SCHEMBL4637937 0.70 IDH1 (0.43) EPAS1IDH1ALDH1A1GPBAR1MAPT
SCHEMBL4706963 0.69 IDH1 (0.40) IDH1GPBAR1RORCRORB
SCHEMBL4637959 0.69 CNR1 (0.34) IDH1ALDH1A1GPBAR1TSHR
SCHEMBL4637810 0.69 IDH1 (0.42) IDH1ALDH1A1GPBAR1TSHR
SCHEMBL4637940 0.69 IDH1 (0.41) EPAS1IDH1ALDH1A1GPBAR1ADORA3
SCHEMBL4639407 0.65 EPAS1 (0.37) EPAS1ALDH1A1GPBAR1ADORA3MAPT

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
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-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 2885/4885IDH1 4314/4885ALDH1A1 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.