SCHEMBL800532

SCHEMBL800532

CC(=O)C1(Nc2ccccc2)CCN(CCc2cccs2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.50
SLC22A1 O15245 1/20 0.50
ABCB1 P08183 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
OPRD1 P41143 4/20 0.45
TSHR P16473 1/20 0.44
OPRK1 P41145 2/20 0.41
METAP2 P50579 1/20 0.41

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
SCHEMBL11562772 0.90 OPRM1 (0.54) OPRM1SLC22A1ABCB1CA12CA1
SCHEMBL16440623 0.89 CA12 (0.61) OPRM1SLC22A1ABCB1CA12CA1
SCHEMBL11568939 0.87 OPRM1 (0.54) OPRM1SLC22A1ABCB1CA12CA1
SCHEMBL801021 0.85 OPRM1 (0.55) OPRM1SLC22A1ABCB1CA12CA1
SCHEMBL9152974 0.83 CA12 (0.61) OPRM1CA12CA1CA2CA4
SCHEMBL800612 0.80 OPRM1 (0.48) OPRM1SLC22A1ABCB1OPRD1
SCHEMBL780308 0.80 NPFFR1 (0.49) OPRM1SLC22A1ABCB1CA12CA1
Alcohol SCHEMBL7851452 0.80 OPRM1 (0.48) OPRM1SLC22A1ABCB1OPRD1TSHR
SCHEMBL13490813 0.79 CACNA1C (0.51) OPRM1CA12CA1CA2CA4
SCHEMBL11566308 0.78 CA12 (0.47) OPRM1CA12CA1CA2CA4

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-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

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.