SCHEMBL278398

SCHEMBL278398

CC(C)CCc1cocn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ESR1 P03372 4/20 0.34
ESR2 Q92731 1/20 0.34
SYK P43405 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
SORT1 Q99523 2/20 0.32
NAMPT P43490 1/20 0.31
HRH4 Q9H3N8 3/20 0.31
ACACB O00763 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL681323 0.78
SCHEMBL326762 0.76
SCHEMBL4473209 0.71
SCHEMBL20032021 0.71
SCHEMBL5674863 0.71
SCHEMBL18858529 0.70 NOS3 (0.44) NOS3NOS1NOS2ESR1ESR2
Hydrochloric Acid SCHEMBL21000866 0.70
SCHEMBL17083293 0.69 NAMPT (0.36) NAMPT
SCHEMBL17079052 0.68 KDM4E (0.38) NAMPTHRH4
SCHEMBL5537774 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 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-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 NOS3 1608/4885NOS1 3457/4885NOS2 3416/4885

“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.