SCHEMBL4568598

SCHEMBL4568598

COc1cc2[nH]c(C(C)C)c(Cc3cccc(C(=O)O)n3)c2cc1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
PTGER1 P34995 2/20 0.42
PDE10A Q9Y233 3/20 0.39
ENPP2 Q13822 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL4568597 0.91 MRGPRX4 (0.45) MRGPRX4PTGER1PDE10AKDM4EMAPT
SCHEMBL3711072 0.89 PTGER1 (0.41) PTGER1PDE10A
SCHEMBL3717010 0.89 PTGER1 (0.46) MRGPRX4PTGER1ENPP2
SCHEMBL3704395 0.85 MRGPRX4 (0.43) MRGPRX4PTGER1PDE10AENPP2KDM4E
SCHEMBL3703871 0.84 PDE10A (0.45) MRGPRX4PDE10AKDM4EMAPTATM
SCHEMBL4568558 0.84 GPR17 (0.45) MRGPRX4PTGER1ENPP2KDM4EMTNR1A
SCHEMBL3711661 0.81 CXCR2 (0.42) MRGPRX4PDE10AMAPT
SCHEMBL3704040 0.81 PTGER1 (0.43) MRGPRX4PTGER1ENPP2
SCHEMBL4568596 0.81 PARP1 (0.38) MRGPRX4PTGER1MTNR1AMTNR1B
SCHEMBL4568456 0.81 MRGPRX4 (0.42) MRGPRX4PTGER1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R MRGPRX4 273/4885PTGER1 1/4885PDE10A 2672/4885

“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.