SCHEMBL20091645

SCHEMBL20091645

BCCCN(C)C1CCCCC1N(C)CCCB

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.41
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRD1 P41143 1/20 0.37
SIGMAR1 Q99720 2/20 0.33

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
SCHEMBL19773326 0.88 SLC18A3 (0.37) SLC18A3OPRM1OPRK1OPRD1
SCHEMBL12430499 0.80 SLC18A3 (0.40) SLC18A3OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL12430313 0.80 SLC18A3 (0.40) SLC18A3OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL12510576 0.79 SLC18A3 (0.42) SLC18A3OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL20087337 0.78 ADH1A (0.40) SLC18A3OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL21159067 0.75 SLC18A3 (0.37) SLC18A3OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL20091610 0.74 SIGMAR1 (0.32) SIGMAR1
SCHEMBL24085914 0.73 ADH1A (0.40) SLC18A3OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL26620832 0.73 ADH1A (0.36) SLC18A3OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL7614419 0.71 SLC18A3 (0.37) SLC18A3OPRM1OPRK1OPRD1SIGMAR1

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-10392449-B2 Polymerization initiator, modified conjugated diene-based polymer, and methods for preparing them LG CHEM, LTD. (KR) 2019-08-27 US disclosed
US-20180112015-A1 POLYMERIZATION INITIATOR, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHODS FOR PREPARING THEM LG CHEM, LTD. (KR) 2018-04-26 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 (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-20180112015-A1 POLYMERIZATION INITIATOR, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHODS FOR PREPARING THEM RIF1, RAD51, TRRAP SLC18A3 4867/4885OPRM1 2716/4885OPRK1 3657/4885
US-10392449-B2 Polymerization initiator, modified conjugated diene-based polymer, and methods for preparing them RIF1, RAD51, TRRAP SLC18A3 4867/4885OPRM1 2716/4885OPRK1 3657/4885

“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.