SCHEMBL2064031

SCHEMBL2064031

NC(=O)N[C@@H]1CCCC[C@H]1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.51
MERTK Q12866 11/20 0.50
AXL P30530 8/20 0.50
TACR1 P25103 2/20 0.50
MET P08581 1/20 0.49
TYRO3 Q06418 1/20 0.49
P2RX7 Q99572 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SGMS2 Q8NHU3 1/20 0.45

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
SCHEMBL14534809 0.97 MERTK (0.53) KCNA5MERTKAXLTACR1MET
SCHEMBL27701237 0.89 KCNA5 (0.53) KCNA5MERTKAXLMETTYRO3
SCHEMBL12629181 0.83 P2RX7 (0.52) KCNA5MERTKAXLMETTYRO3
SCHEMBL13324324 0.83 P2RX7 (0.52) KCNA5MERTKAXLMETTYRO3
SCHEMBL4075331 0.81 P2RX7 (0.50) KCNA5MERTKAXLMETTYRO3
SCHEMBL4380010 0.81 KMT2A (0.51) KCNA5MERTKAXLTACR1MET
SCHEMBL1928743 0.81 KMT2A (0.51) KCNA5MERTKAXLTACR1MET
SCHEMBL14583914 0.81 KMT2A (0.51) KCNA5MERTKAXLTACR1MET
SCHEMBL8280167 0.81 KMT2A (0.51) KCNA5MERTKAXLTACR1MET
SCHEMBL13302610 0.80 MERTK (0.49) KCNA5MERTKAXLMETTYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT KCNA5 801/4885MERTK 3910/4885AXL 1430/4885

“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.