SCHEMBL21874409

SCHEMBL21874409

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.50
OPRD1 P41143 5/20 0.50
OPRK1 P41145 3/20 0.50
CACNA1C Q13936 1/20 0.50
OPRL1 P41146 1/20 0.46

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
SCHEMBL13534002 0.91 OPRM1 (0.52) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL22782241 0.87 OPRM1 (0.51) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL6045574 0.85 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1
SCHEMBL13451313 0.85 CACNA1C (0.71) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL14355475 0.84 CACNA1C (0.58) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL22634131 0.74 OPRM1 (0.71) OPRM1OPRD1OPRK1OPRL1
SCHEMBL13534166 0.70 OPRM1 (0.52) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL3303683 0.70 OPRM1 (0.80) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL821488 0.69 OPRM1 (0.78) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL11563541 0.69 OPRM1 (0.82) OPRM1OPRD1OPRK1CACNA1C

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
EP-3643704-B1 NEW INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE HAMELN PHARMA GMBH (DE) 2020-12-16 EP disclosed
EP-3643704-B1 NEW INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE HAMELN PHARMA GMBH (DE) 2020-12-16 EP disclosed
US-10844014-B2 Intermediates for the preparation of remifentanil hydrochloride HAMELN PHARMA GMBH (DE) 2020-11-24 US disclosed
US-10844014-B2 Intermediates for the preparation of remifentanil hydrochloride HAMELN PHARMA GMBH (DE) 2020-11-24 US disclosed
US-20200131127-A1 INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE HAMELN PHARMA PLUS GMBH (DE) 2020-04-30 US disclosed
US-20200131127-A1 INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE HAMELN PHARMA PLUS GMBH (DE) 2020-04-30 US disclosed
EP-3643704-A1 NEW INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE hameln pharma plus gmbh (DE) 2020-04-29 EP disclosed
EP-3643704-A1 NEW INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE hameln pharma plus gmbh (DE) 2020-04-29 EP 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-10844014-B2 Intermediates for the preparation of remifentanil hydrochloride OPRK1, OPRM1, OPRD1 OPRM1 2/4885OPRD1 3/4885OPRK1 1/4885
US-20200131127-A1 INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE OPRK1, OPRM1, OPRD1 OPRM1 2/4885OPRD1 3/4885OPRK1 1/4885

“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.