SCHEMBL6717399

SCHEMBL6717399

COC(=O)CCN1CCc2ccc(O)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
REN P00797 3/20 0.48
CYP3A4 P08684 2/20 0.48
NOTUM Q6P988 1/20 0.47
CHRM2 P08172 3/20 0.46
CHRM4 P08173 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
DRD2 P14416 3/20 0.44
DRD1 P21728 3/20 0.44
DRD5 P21918 3/20 0.44
DRD3 P35462 3/20 0.44

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
SCHEMBL6721571 0.92 REN (0.57) MAPTNPC1MAPK1RAB9AREN
SCHEMBL19149079 0.86 MAPT (0.51) MAPTNPC1MAPK1RAB9AREN
SCHEMBL23489361 0.85 MAPT (0.50) MAPTNPC1MAPK1RAB9AREN
Hydrochloric Acid SCHEMBL19148702 0.85 MAPT (0.50) MAPTNPC1MAPK1RAB9AREN
SCHEMBL5860023 0.82 MEN1 (0.68) MAPTNPC1MAPK1RAB9ANOTUM
Hydrochloric Acid SCHEMBL19150407 0.81 MEN1 (0.67) MAPTNPC1MAPK1RAB9ANOTUM
SCHEMBL22713778 0.81 AOC3 (0.61) MAPTNPC1MAPK1RAB9AAOC3
SCHEMBL19172525 0.80 AOC3 (0.48) MAPTNPC1MAPK1RAB9AREN
SCHEMBL19149283 0.80 HRH3 (0.55) MAPTMAPK1RAB9ANOTUMKDM4E
SCHEMBL25394336 0.80 NOTUM (0.47) MAPTRENCYP3A4NOTUMCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 MAPT 3937/4885NPC1 1668/4885MAPK1 2207/4885

“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.