SCHEMBL4523304

SCHEMBL4523304

Fc1ccc(-c2ccnc3c2CNCCO3)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.47
CSNK1D P48730 1/20 0.47
CSNK1E P49674 1/20 0.47
MAPK12 P53778 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
HTR2A P28223 7/20 0.37
HTR2C P28335 7/20 0.37
HTR2B P41595 7/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTR7 P34969 1/20 0.34
HTR3A P46098 1/20 0.34
HTR5A P47898 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
SCHEMBL4527939 0.92 MAPK13 (0.41) MAPK13CSNK1DCSNK1EMAPK12KCNH2
SCHEMBL4529203 0.91 MAPK13 (0.40) MAPK13CSNK1DCSNK1EMAPK12KCNH2
SCHEMBL4522350 0.86 PRCP (0.44) MAPK13CSNK1DCSNK1EMAPK12KCNH2
Hydrochloric Acid SCHEMBL4517704 0.85 SOS1 (0.38) MAPK13CSNK1DCSNK1EMAPK12KCNH2
Hydrochloric Acid SCHEMBL4516484 0.85 MAPK13 (0.37) MAPK13CSNK1DCSNK1EMAPK12KCNH2
Hydrochloric Acid SCHEMBL4522643 0.84 PRCP (0.43) MAPK13CSNK1DCSNK1EMAPK12KCNH2
SCHEMBL4527509 0.84 HTR7 (0.39) MAPK13CSNK1DCSNK1EMAPK12KCNH2
SCHEMBL4521298 0.78 SOS1 (0.37) MAPK13CSNK1DCSNK1EMAPK12KCNH2
SCHEMBL4522026 0.78 PRCP (0.42) KDM4ELMNA
SCHEMBL4503983 0.77 PRCP (0.41) KDM4ELMNA

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-7625887-B2 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
US-20060199795-A1 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
EP-1591120-A1 RECEPTOR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2005-11-02 EP 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-20060199795-A1 Receptor agonists GPBAR1, GPR35, GPR55 MAPK13 1783/4885CSNK1D 2824/4885CSNK1E 2451/4885

“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.