SCHEMBL6816871

SCHEMBL6816871

COC(=O)C12CCCCN1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
OPRL1 P41146 2/20 0.39
OPRD1 P41143 1/20 0.39
OPRM1 P35372 1/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP3A4 P08684 1/20 0.37
NPC1 O15118 1/20 0.36
PPIA P62937 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL16757411 0.98 NPSR1 (0.42) NPSR1OPRL1OPRD1OPRM1CYP4F2
SCHEMBL31531562 0.94 OPRL1 (0.39) NPSR1OPRL1OPRD1OPRM1MEN1
SCHEMBL6816556 0.94 NPSR1 (0.41) NPSR1OPRL1OPRD1OPRM1CYP4F2
SCHEMBL232028 0.92 NPSR1 (0.39) NPSR1OPRL1OPRD1OPRM1MEN1
SCHEMBL31527166 0.92 NPSR1 (0.39) NPSR1OPRL1OPRD1OPRM1CYP4F2
SCHEMBL2707689 0.85 HCN4 (0.40) NPSR1OPRL1OPRD1OPRM1CYP3A4
SCHEMBL30590793 0.85 ALDH1A1 (0.43) MAPTALDH1A1GAAKDM4E
SCHEMBL6508506 0.83 CYP1A2 (0.37) NPSR1OPRL1OPRD1OPRM1MEN1
SCHEMBL26981402 0.78 NPSR1 (0.34) NPSR1OPRL1OPRD1OPRM1MEN1
SCHEMBL25435107 0.76 NPSR1 (0.33) NPSR1OPRL1OPRD1OPRM1PPIA

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
WO-2023061294-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 再鼎医药(上海)有限公司 2023-04-20 WO disclosed
WO-2004009599-A1 FIVE-MEMBERED HETEROAROMATIC OLEFINIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NCOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-01-29 WO disclosed
US-20020160998-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-10-31 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-20020160998-A1 Pharmaceutical compositions and methods for use AADAC, CYP3A7, CYP3A5 NPSR1 810/4885OPRL1 1162/4885OPRD1 696/4885

“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.