SCHEMBL4637743

SCHEMBL4637743

O=C(c1ncn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1cccnc1)c1c(CC2OCCO2)noc1-c1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.35
GPBAR1 Q8TDU6 13/20 0.33
GRIN2B Q13224 1/20 0.33
CRHR1 P34998 1/20 0.31
SRPK1 Q96SB4 1/20 0.31
RET P07949 2/20 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
SCHEMBL4637943 0.90 GPBAR1 (0.37) IDH1GPBAR1GRIN2B
SCHEMBL4637980 0.89 IDH1 (0.36) IDH1GPBAR1GRIN2B
SCHEMBL4637899 0.88 IDH1 (0.32) IDH1GPBAR1GRIN2BCRHR1
SCHEMBL4637919 0.83 TACR1 (0.37) GPBAR1
SCHEMBL4639443 0.81 P2RX7 (0.34) IDH1GPBAR1
SCHEMBL4637902 0.81 ALDH1A1 (0.40)
SCHEMBL4637977 0.80 S1PR1 (0.34)
SCHEMBL4637808 0.79 TACR1 (0.39) GPBAR1
SCHEMBL4637976 0.78 IDH1 (0.43) IDH1GPBAR1CRHR1
SCHEMBL4708380 0.77 IDH1 (0.42) IDH1GPBAR1CRHR1SRPK1

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 IDH1 4314/4885GPBAR1 101/4885GRIN2B 506/4885

“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.