SCHEMBL4639448

SCHEMBL4639448

Cn1ncc(C(=O)c2nnn(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2-c2cccnc2)c1-c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.49
P2RX7 Q99572 2/20 0.37
GPBAR1 Q8TDU6 10/20 0.37
TACR1 P25103 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
GRM2 Q14416 1/20 0.36
CRHR1 P34998 1/20 0.36
SLC2A1 P11166 1/20 0.35
SLC2A3 P11169 1/20 0.35
SLC2A4 P14672 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL4637774 0.86 TACR1 (0.41) IDH1GPBAR1TACR1GRM2
SCHEMBL4705903 0.80 IDH1 (0.44) IDH1P2RX7GPBAR1ALDH1A1TSHR
SCHEMBL4638919 0.80 TACR1 (0.48) IDH1GPBAR1TACR1ALDH1A1TSHR
SCHEMBL4706658 0.80 IDH1 (0.62) IDH1P2RX7TACR1ALDH1A1TSHR
SCHEMBL4707155 0.80 IDH1 (0.53) IDH1P2RX7GPBAR1ALDH1A1TSHR
SCHEMBL4638843 0.80 IDH1 (0.44) IDH1P2RX7GPBAR1ALDH1A1TSHR
SCHEMBL4637810 0.80 IDH1 (0.42) IDH1P2RX7GPBAR1TACR1ALDH1A1
SCHEMBL4637782 0.80 IDH1 (0.42) IDH1P2RX7GPBAR1ALDH1A1TSHR
SCHEMBL4637976 0.79 IDH1 (0.43) IDH1P2RX7GPBAR1ALDH1A1TSHR
SCHEMBL4637937 0.79 IDH1 (0.43) IDH1P2RX7GPBAR1ALDH1A1TSHR

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 IDH1 4314/4885P2RX7 652/4885GPBAR1 101/4885

“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.