SCHEMBL821488

SCHEMBL821488

CCC(=O)N(c1ccccc1)C1(C(C)=O)CCN(CCc2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.78
OPRD1 P41143 5/20 0.78
OPRK1 P41145 3/20 0.78
CACNA1C Q13936 1/20 0.59
OPRL1 P41146 1/20 0.58

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
SCHEMBL11566735 0.93 OPRM1 (0.69) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL11568645 0.92 OPRM1 (0.68) OPRM1OPRD1OPRK1
SCHEMBL3303683 0.92 OPRM1 (0.80) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL11566020 0.91 OPRM1 (0.66) OPRM1OPRD1OPRK1
SCHEMBL11569033 0.91 OPRM1 (0.78) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL14530925 0.90 OPRM1 (0.77) OPRM1OPRD1OPRK1CACNA1COPRL1
Carfentanil SCHEMBL116222 0.88 OPRM1 (1.00) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL11564667 0.88 OPRM1 (0.64) OPRM1OPRD1OPRK1
[11C]-Carfentanil SCHEMBL29374424 0.88 OPRM1 (1.00) OPRM1OPRD1OPRK1CACNA1COPRL1
Carfentanil SCHEMBL4256090 0.87 OPRM1 (0.98) OPRM1OPRD1OPRK1CACNA1COPRL1

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-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 US claimed
US-20200352917-A1 MEDICATED SPRAY FOR TREATMENT OF SUBSTANCE ABUSE, OVERDOSE, ADDICTION AND IMPULSE CONTROL DISORDERS GOOBERMAN LANCE L (US) 2020-11-12 US disclosed
US-20130030184-A1 ISOTOPICALLY LABELED CHEMICALLY STABLE REAGENTS AND PROCESS FOR THE SYNTHESIS THEREOF PERKINELMER HEALTH SCIENCES, INC. (US) 2013-01-31 US disclosed
US-20130030184-A1 ISOTOPICALLY LABELED CHEMICALLY STABLE REAGENTS AND PROCESS FOR THE SYNTHESIS THEREOF PERKINELMER HEALTH SCIENCES, INC. (US) 2013-01-31 US disclosed
US-8058464-B2 Isotopically labeled chemically stable reagents and process for the synthesis thereof PERKINELMER HEALTH SCIENCES, INC. (US) 2011-11-15 US disclosed
US-5420280-A Piperidin-4-spiro-oxiranes THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1995-05-30 US disclosed
US-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed
US-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 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-20130030184-A1 ISOTOPICALLY LABELED CHEMICALLY STABLE REAGENTS AND PROCESS FOR THE SYNTHESIS THEREOF ALKBH2, ALKBH3, ALKBH1 OPRM1 716/4885OPRD1 1225/4885OPRK1 2158/4885

“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.