SCHEMBL20980896

SCHEMBL20980896

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.44
MRGPRX4 Q96LA9 3/20 0.42
IDO1 P14902 2/20 0.41
RXRA P19793 1/20 0.40
RXRG P48443 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
XDH P47989 1/20 0.36
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
KIF11 P52732 1/20 0.34
TMPRSS4 Q9NRS4 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
SCHEMBL19129490 0.84 IDO1 (0.57) TACR1IDO1CACNA1FCACNA1DCACNA1S
SCHEMBL20698647 0.84 GLA (0.37) TACR1MRGPRX4
SCHEMBL20698868 0.83 IDO1 (0.44) TACR1MRGPRX4IDO1RXRARXRG
SCHEMBL13018926 0.80 RXRA (0.43) MRGPRX4IDO1RXRARXRGTAS2R14
SCHEMBL25869234 0.78 TACR1 (0.34) TACR1MRGPRX4XDH
SCHEMBL172834 0.77 RXRA (0.46) TACR1MRGPRX4IDO1RXRARXRG
SCHEMBL20980657 0.76 GRM5 (0.38) TACR1MRGPRX4IDO1
SCHEMBL18252840 0.76 RXRA (0.40) MRGPRX4IDO1RXRARXRGTAS2R14
SCHEMBL17319636 0.75 RXRA (0.47) TACR1MRGPRX4IDO1RXRARXRG
SCHEMBL18255653 0.74 LOXL2 (0.47) TACR1MRGPRX4RXRARXRGTAS2R14

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
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-20190144389-A1 DEUTERATED COMPOUNDS AS IMMUNOMODULATORS CHEMOCENTRYX, INC. 2019-05-16 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 TACR1 329/4885MRGPRX4 95/4885IDO1 71/4885
US-11708326-B2 Immunomodulator compounds IL2, FCGRT, IFNG TACR1 329/4885MRGPRX4 95/4885IDO1 71/4885
US-20190144389-A1 DEUTERATED COMPOUNDS AS IMMUNOMODULATORS C3AR1, C5AR1, C5AR2 TACR1 147/4885MRGPRX4 48/4885IDO1 127/4885
US-20210147356-A1 IMMUNOMODULATOR COMPOUNDS IL2, FCGRT, IFNG TACR1 329/4885MRGPRX4 95/4885IDO1 71/4885
US-20210236476-A1 METHODS OF TREATING CANCER WITH SMALL MOLECULE PD-L1 INHIBITORS CD4, CD274, PDCD1 TACR1 785/4885MRGPRX4 1078/4885IDO1 18/4885

“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.