SCHEMBL9951165

SCHEMBL9951165

CNC(=O)CC1C=C(C)CCC1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.37
OPRM1 P35372 1/20 0.37
P2RX4 Q99571 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
PTPN1 P18031 2/20 0.31
HIF1A Q16665 3/20 0.30
EPAS1 Q99814 1/20 0.30
TRPM8 Q7Z2W7 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
SCHEMBL7777433 0.84 ACE2 (0.39) ACE2OPRM1PTPN1HIF1AEPAS1
SCHEMBL11303614 0.77 OPRM1 (0.42) ACE2OPRM1PTPN1HIF1AEPAS1
SCHEMBL21889565 0.76 ACE2 (0.36) ACE2OPRM1PTPN1
SCHEMBL21834436 0.76 ACE2 (0.36) ACE2OPRM1PTPN1
SCHEMBL21889564 0.76 ACE2 (0.36) ACE2OPRM1PTPN1
SCHEMBL31290335 0.76 LMNA (0.40) ACE2OPRM1
SCHEMBL14279103 0.74 ACE2 (0.35) ACE2OPRM1PTPN1HIF1AEPAS1
SCHEMBL6400426 0.70 ACE2 (0.36) ACE2OPRM1PTPN1
SCHEMBL12977506 0.68 OPRM1 (0.38) ACE2OPRM1PTPN1HIF1AEPAS1
SCHEMBL12977503 0.68 OPRM1 (0.38) ACE2OPRM1PTPN1HIF1AEPAS1

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-20120165559-A1 Compounds Having a Physiological Effect V. MANE FILS (FR) 2012-06-28 US claimed
US-20120165559-A1 Compounds Having a Physiological Effect V. MANE FILS (FR) 2012-06-28 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-20120165559-A1 Compounds Having a Physiological Effect NPPA, CYP11B2, SHBG ACE2 327/4885OPRM1 615/4885P2RX4 706/4885

“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.