SCHEMBL15057752

SCHEMBL15057752

CNc1ccccc1OC1CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.43
CARM1 Q86X55 3/20 0.43
PRMT1 Q99873 3/20 0.43
KAT2B Q92831 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
HRH1 P35367 4/20 0.41
APP P05067 1/20 0.39
PDE5A O76074 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
HSP90AB1 P08238 2/20 0.38
TOP2A P11388 2/20 0.38
MCHR1 Q99705 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRNB2 P17787 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
SCHEMBL28333036 0.96 MRGPRX1 (0.46) MRGPRX1CARM1PRMT1KAT2BBAZ2B
SCHEMBL15057876 0.92 KAT2B (0.44) MRGPRX1CARM1PRMT1KAT2BBAZ2B
SCHEMBL24460812 0.81 MRGPRX1 (0.43) MRGPRX1CARM1PRMT1KAT2BBAZ2B
SCHEMBL28707530 0.78 KAT2B (0.50) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL30780930 0.77 POLB (0.42) PDE5APDE4DPDE4APDE4BPDE4C
SCHEMBL21600821 0.76 HTR1A (0.41) MRGPRX1CARM1PRMT1KAT2BBAZ2B
SCHEMBL28331542 0.76 EIF4E (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL28333030 0.76 EIF4E (0.51) CARM1PRMT1PDE4DPDE4APDE4B
SCHEMBL12359570 0.76 SMN1; SMN2 (0.63) SMN1; SMN2
SCHEMBL5344402 0.75 MCHR1 (0.49) MRGPRX1CARM1PRMT1HRH1PDE5A

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
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
EP-2794576-A1 NON-SYSTEMIC TGR5 AGONISTS Ardelyx, Inc. (US) 2014-10-29 EP disclosed
WO-2013096771-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2013-06-27 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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR MRGPRX1 33/4885CARM1 1171/4885PRMT1 402/4885

“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.