SCHEMBL4638843

SCHEMBL4638843

O=C(c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1cccnc1)c1onc(CO)c1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.44
GPBAR1 Q8TDU6 12/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
GRM2 Q14416 2/20 0.37
P2RX7 Q99572 1/20 0.36
CYP19A1 P11511 1/20 0.34
CRHR1 P34998 1/20 0.34
SRPK1 Q96SB4 1/20 0.34

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
SCHEMBL4637976 0.89 IDH1 (0.43) IDH1GPBAR1ALDH1A1TSHRGRM2
SCHEMBL4708380 0.85 IDH1 (0.42) IDH1GPBAR1ALDH1A1TSHRGRM2
SCHEMBL4637937 0.85 IDH1 (0.43) IDH1GPBAR1ALDH1A1TSHRGRM2
SCHEMBL4708547 0.81 GRM2 (0.37) IDH1GPBAR1ALDH1A1TSHRGRM2
SCHEMBL4637972 0.81 ALDH1A1 (0.44) ALDH1A1TSHRGRM2CYP19A1
SCHEMBL4638055 0.81 ALDH1A1 (0.38) IDH1GPBAR1ALDH1A1TSHRGRM2
SCHEMBL4637782 0.81 IDH1 (0.42) IDH1GPBAR1ALDH1A1TSHRGRM2
SCHEMBL4637810 0.81 IDH1 (0.42) IDH1GPBAR1ALDH1A1TSHRGRM2
SCHEMBL4638612 0.80 IDH1 (0.42) IDH1GPBAR1ALDH1A1TSHRGRM2
SCHEMBL4639448 0.80 IDH1 (0.49) IDH1GPBAR1ALDH1A1TSHRGRM2

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
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 IDH1 4314/4885GPBAR1 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.