SCHEMBL20980657

SCHEMBL20980657

CC(C)OCc1cc(Cl)cc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.38
MRGPRX4 Q96LA9 2/20 0.36
IDO1 P14902 2/20 0.36
ADRA1D P25100 1/20 0.36
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
KCNH2 Q12809 1/20 0.35
TACR1 P25103 1/20 0.33
MASP2 O00187 1/20 0.33
GLA P06280 1/20 0.33
ENPP2 Q13822 1/20 0.32

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 0.88 GLA (0.37) GRM5MRGPRX4KCNH2TACR1GLA
SCHEMBL17069262 0.82 IDO1 (0.52) IDO1TACR1
SCHEMBL25869234 0.81 TACR1 (0.34) GRM5MRGPRX4KCNH2TACR1GLA
SCHEMBL20698866 0.81 GRM5 (0.41) GRM5MRGPRX4IDO1ADRA1DNR3C1
SCHEMBL29193306 0.79 MAPT (0.35) GRM5MRGPRX4ADRA1DNR3C1NR3C2
SCHEMBL29193308 0.79 MAPT (0.35) GRM5MRGPRX4ADRA1DNR3C1NR3C2
SCHEMBL23373692 0.78 GRM5 (0.39) GRM5MRGPRX4IDO1ADRA1DNR3C1
SCHEMBL23159233 0.77 ADRA1D (0.38) GRM5ADRA1DNR3C1NR3C2KCNH2
SCHEMBL20980896 0.76 TACR1 (0.44) MRGPRX4IDO1TACR1
SCHEMBL25292712 0.75 TSHR (0.33) GRM5MRGPRX4ADRA1DNR3C1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708326-B2 Immunomodulator compounds CHEMOCENTRYX, INC. (US) 2023-07-25 US disclosed
US-11708326-B2 Immunomodulator compounds CHEMOCENTRYX, INC. (US) 2023-07-25 US disclosed
US-20210236476-A1 METHODS OF TREATING CANCER WITH SMALL MOLECULE PD-L1 INHIBITORS CHEMOCENTRYX, INC. 2021-08-05 US disclosed
US-20210147356-A1 IMMUNOMODULATOR COMPOUNDS CHEMOCENTRYX, INC. 2021-05-20 US disclosed
US-10919852-B2 Immunomodulator compounds CHEMOCENTRYX, INC. (US) 2021-02-16 US disclosed
US-20190135745-A1 IMMUNOMODULATOR COMPOUNDS CHEMOCENTRYX, INC. 2019-05-09 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 (5 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-20190135745-A1 IMMUNOMODULATOR COMPOUNDS IL2, FCGRT, IFNG GRM5 1806/4885MRGPRX4 95/4885IDO1 71/4885
US-11708326-B2 Immunomodulator compounds IL2, FCGRT, IFNG GRM5 1806/4885MRGPRX4 95/4885IDO1 71/4885
US-20210147356-A1 IMMUNOMODULATOR COMPOUNDS IL2, FCGRT, IFNG GRM5 1806/4885MRGPRX4 95/4885IDO1 71/4885
US-20210236476-A1 METHODS OF TREATING CANCER WITH SMALL MOLECULE PD-L1 INHIBITORS CD4, CD274, PDCD1 GRM5 3527/4885MRGPRX4 1078/4885IDO1 18/4885
US-10919852-B2 Immunomodulator compounds IL2, FCGRT, IFNG GRM5 1806/4885MRGPRX4 95/4885IDO1 71/4885

“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.