SCHEMBL1987699

SCHEMBL1987699

C=CCN1C2CCC1CN(C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.72
OPRM1 P35372 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
LMNA P02545 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
CYP1A2 P05177 1/20 0.64
MAPT P10636 1/20 0.64
OPRK1 P41145 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
NFKB1 P19838 1/20 0.64

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
SCHEMBL1988544 0.97 OPRD1 (0.70) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL12564203 0.95 OPRD1 (0.73) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL12564266 0.92 OPRD1 (0.71) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL1987011 0.92 OPRD1 (0.63) OPRD1OPRM1MEN1KMT2ALMNA
SCHEMBL1989257 0.90 OPRD1 (0.73) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL12019437 0.89 OPRD1 (0.56) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL12564378 0.89 OPRD1 (0.63) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL12564407 0.89 OPRD1 (0.62) OPRD1OPRM1MEN1KMT2ALMNA
SCHEMBL12019375 0.88 OPRD1 (0.55) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL1987888 0.88 OPRD1 (0.61) OPRD1OPRM1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609659-B2 Substituted 3,8-diazabicyclo[3.2.1]octane compounds NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) 2013-12-17 US disclosed
EP-2338889-B1 Diazacyclic compounds having affinity for opioid receptors NEUROSCIENZE PHARMANESS S C A R L (IT) 2012-08-29 EP disclosed
EP-2338889-B1 Diazacyclic compounds having affinity for opioid receptors NEUROSCIENZE PHARMANESS S C A R L (IT) 2012-08-29 EP disclosed
EP-2338889-A1 Diazacyclic compounds having affinity for opioid receptors Neuroscienze Pharmaness S.C. A R.L. (IT) 2011-06-29 EP disclosed
EP-2338889-A1 Diazacyclic compounds having affinity for opioid receptors Neuroscienze Pharmaness S.C. A R.L. (IT) 2011-06-29 EP disclosed
US-20110152238-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2011-06-23 US disclosed
US-20110152238-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2011-06-23 US disclosed
US-20110152238-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2011-06-23 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-20110152238-A1 PHARMACEUTICAL COMPOUNDS OPRD1, OPRK1, OPRM1 OPRD1 1/4885OPRM1 3/4885MEN1 4421/4885

“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.