SCHEMBL13543770

SCHEMBL13543770

CN1CCC(O)(c2ccc(Br)nc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.36
OPRL1 P41146 3/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
POLB P06746 1/20 0.35
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
OGA O60502 1/20 0.33
CCR1 P32246 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL19491346 0.83 OPRL1 (0.43) OPRD1OPRL1OPRM1OPRK1OGA
SCHEMBL1738687 0.81 OGA (0.36) OPRD1OPRL1OPRM1OPRK1CHRNB2
SCHEMBL13543769 0.81 PIK3CA (0.42) OPRD1OPRM1ALDH1A1LMNAOGA
SCHEMBL12488846 0.80 ALDH1A1 (0.45) OPRD1OPRL1OPRM1OPRK1POLB
SCHEMBL19482468 0.80 HRH3 (0.38) CHRNB2CHRNA4OGAMEN1KMT2A
SCHEMBL19491058 0.79 OPRL1 (0.40) OPRD1OPRL1OPRM1OPRK1OGA
SCHEMBL19491059 0.79 OPRL1 (0.40) OPRD1OPRL1OPRM1OPRK1OGA
SCHEMBL19491060 0.79 OPRL1 (0.40) OPRD1OPRL1OPRM1OPRK1OGA
SCHEMBL10028305 0.78 OPRL1 (0.46) OPRD1OPRL1OPRM1OPRK1POLB
SCHEMBL23425725 0.78 OGA (0.32) OPRD1OPRL1OPRM1OPRK1ALDH1A1

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-20100004243-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-07 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-20100004243-A1 PHARMACEUTICAL COMPOUNDS CDK1, CDK2, CDK4 OPRD1 657/4885OPRL1 1796/4885OPRM1 520/4885

“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.