SCHEMBL800612

SCHEMBL800612

CCC1(Nc2ccccc2)CCN(CCc2cccs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.48
SLC22A1 O15245 1/20 0.48
ABCB1 P08183 1/20 0.48
NPFFR1 Q9GZQ6 2/20 0.46
NPFFR2 Q9Y5X5 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
OPRD1 P41143 2/20 0.42
HRH3 Q9Y5N1 2/20 0.40

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
Alcohol SCHEMBL7851452 0.90 OPRM1 (0.48) OPRM1SLC22A1ABCB1NPFFR1NPFFR2
SCHEMBL780308 0.88 NPFFR1 (0.49) OPRM1SLC22A1ABCB1NPFFR1NPFFR2
SCHEMBL781667 0.87 OPRM1 (0.55) OPRM1SLC22A1ABCB1NPFFR1NPFFR2
Hydrochloric Acid SCHEMBL11563478 0.86 OPRM1 (0.54) OPRM1SLC22A1ABCB1NPFFR1NPFFR2
SCHEMBL11562772 0.81 OPRM1 (0.54) OPRM1SLC22A1ABCB1OPRD1
SCHEMBL800532 0.80 OPRM1 (0.50) OPRM1SLC22A1ABCB1OPRD1
SCHEMBL11568939 0.79 OPRM1 (0.54) OPRM1SLC22A1ABCB1SMN1; SMN2OPRD1
SCHEMBL16440623 0.78 CA12 (0.61) OPRM1SLC22A1ABCB1NPFFR1NPFFR2
SCHEMBL15866340 0.77 OPRM1 (0.46) OPRM1SLC22A1ABCB1OPRD1
SCHEMBL801021 0.75 OPRM1 (0.55) OPRM1SLC22A1ABCB1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946433-B2 Process for the preparation of sufentanil base and related compounds MALLINCKRODT LLC (US) 2015-02-03 US disclosed
US-20120071659-A1 Process for the Preparation of Sufentanil Base and Related Compounds MALLINCKRODT LLC (US) 2012-03-22 US disclosed
WO-2012037309-A2 IMPROVED PROCESS FOR THE PREPARATION OF SUFENTANIL BASE AND RELATED COMPOUNDS MALLINCKRODT LLC (US) 2012-03-22 WO 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-20120071659-A1 Process for the Preparation of Sufentanil Base and Related Compounds SNRPD1, SNRPD2, SNRPA1 OPRM1 18/4885SLC22A1 2445/4885ABCB1 1242/4885

“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.