SCHEMBL22225565

SCHEMBL22225565

ONC1CC2CCCC(C1)N2C1CC2CCCC(C2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2D6 P10635 2/20 0.42
OPRL1 P41146 11/20 0.38
OGFRL1 Q5TC84 10/20 0.38
OPRM1 P35372 4/20 0.38
OPRK1 P41145 4/20 0.38
OPRD1 P41143 2/20 0.38
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 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
SCHEMBL19836646 0.79 OPRL1 (0.39) MEN1KMT2ACYP2D6OPRL1OGFRL1
SCHEMBL15080543 0.79
SCHEMBL20206665 0.78 LMNA (0.43) MEN1KMT2ACYP2D6OPRL1OGFRL1
SCHEMBL15853818 0.74 OGFRL1 (0.38) OPRL1OGFRL1OPRM1OPRK1OPRD1
SCHEMBL15847181 0.74 OGFRL1 (0.38) OPRL1OGFRL1OPRM1OPRK1OPRD1
SCHEMBL12436681 0.74 OGFRL1 (0.38) OPRL1OGFRL1OPRM1OPRK1OPRD1
SCHEMBL16743560 0.74 OGFRL1 (0.38) OPRL1OGFRL1OPRM1OPRK1OPRD1
SCHEMBL3046521 0.74 OGFRL1 (0.38) OPRL1OGFRL1OPRM1OPRK1OPRD1
SCHEMBL18086595 0.74 OGFRL1 (0.38) OPRL1OGFRL1OPRM1OPRK1OPRD1
SCHEMBL17389314 0.74 OGFRL1 (0.38) OPRL1OGFRL1OPRM1OPRK1OPRD1

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-11111246-B2 Pharmaceutical salts of substituted-quinoxaline-type bridged-piperidine compounds PURDUE PHARMA L.P. (US) 2021-09-07 US disclosed
US-20200223847-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-07-16 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 (2 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-11111246-B2 Pharmaceutical salts of substituted-quinoxaline-type bridged-piperidine compounds QDPR, P2RX4, P2RX5 MEN1 3416/4885KMT2A 1879/4885CYP2D6 224/4885
US-20200223847-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, OPRK1, QDPR MEN1 4222/4885KMT2A 1597/4885CYP2D6 658/4885

“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.