SCHEMBL25869234

SCHEMBL25869234

Cc1cc(C#N)cc(COC(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.34
KCNH2 Q12809 1/20 0.33
GLA P06280 1/20 0.33
MGLL Q99685 1/20 0.33
XDH P47989 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2A6 P11509 1/20 0.32
GRM5 P41594 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
IDH1 O75874 1/20 0.31
NOS2 P35228 1/20 0.31
CETP P11597 1/20 0.31
ENPP2 Q13822 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
SCHEMBL20698647 0.89 GLA (0.37) TACR1KCNH2GLACYP2A6GRM5
SCHEMBL20980657 0.81 GRM5 (0.38) TACR1KCNH2GLAGRM5MRGPRX4
SCHEMBL12736230 0.81 TACR1 (0.46) TACR1ALDH1A1
SCHEMBL20980896 0.78 TACR1 (0.44) TACR1XDHMRGPRX4
SCHEMBL16955860 0.77 GLA (0.36) KCNH2GLAXDHALDH1A1CYP2A6
SCHEMBL800275 0.76 GLA (0.54) TACR1GLAGRM5MRGPRX4
SCHEMBL19764850 0.75 CD274 (0.38) GRM5ENPP2
SCHEMBL799863 0.74 CYP2A6 (0.52) TACR1KCNH2ALDH1A1CYP2A6
SCHEMBL23373746 0.74 CYP2A6 (0.34) KCNH2GLACYP2A6GRM5MRGPRX4
SCHEMBL22477339 0.74 CYP2A6 (0.39) KCNH2XDHALDH1A1CYP2A6GRM5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708326-B2 Immunomodulator compounds CHEMOCENTRYX, INC. (US) 2023-07-25 US 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-11708326-B2 Immunomodulator compounds IL2, FCGRT, IFNG TACR1 329/4885KCNH2 3640/4885GLA 1848/4885

“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.