SCHEMBL4178174

SCHEMBL4178174

CC1(C)[CH]CCC(N2CCCCC2)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.35
L3MBTL3 Q96JM7 6/20 0.33
L3MBTL1 Q9Y468 5/20 0.33
MBTD1 Q05BQ5 4/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
FYN P06241 1/20 0.32
OPRM1 P35372 2/20 0.31
OPRK1 P41145 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EBP Q15125 1/20 0.30
DHCR7 Q9UBM7 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
SCHEMBL4186606 0.98 L3MBTL3 (0.34) OPRL1L3MBTL3L3MBTL1MBTD1OPRM1
SCHEMBL4173229 0.83 EBP (0.32) KDM4EEBPDHCR7
SCHEMBL4186626 0.83 IRAK4 (0.30)
SCHEMBL4181149 0.81 OPRL1 (0.38) OPRL1L3MBTL3L3MBTL1
SCHEMBL4172642 0.81
SCHEMBL4172343 0.80 IRAK4 (0.31) OPRM1OPRK1
SCHEMBL13697604 0.68 OPRL1 (0.37) OPRL1L3MBTL3L3MBTL1OPRM1OPRK1
SCHEMBL737288 0.68 L3MBTL3 (0.46) OPRL1L3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL19312856 0.68 L3MBTL3 (0.46) OPRL1L3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL736033 0.68 L3MBTL3 (0.46) OPRL1L3MBTL3L3MBTL1MBTD1CYP2D6

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-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 US disclosed
EP-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP disclosed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 WO 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-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 OPRL1 38/4885L3MBTL3 3276/4885L3MBTL1 1537/4885

“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.