SCHEMBL14839622

SCHEMBL14839622

COCCOCCOCCOCCN(C(C)=O)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.55
CHRM2 P08172 5/20 0.54
CHRM3 P20309 5/20 0.54
ACHE P22303 4/20 0.51
SIGMAR1 Q99720 1/20 0.48
BCHE P06276 1/20 0.47

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
Hydrochloric Acid SCHEMBL9024089 0.81 OPRM1 (0.56) OPRM1CHRM2CHRM3ACHESIGMAR1
SCHEMBL8776633 0.79 OPRM1 (0.58) OPRM1CHRM2CHRM3ACHESIGMAR1
Hydrochloric Acid SCHEMBL9057752 0.78 OPRM1 (0.57) OPRM1CHRM2CHRM3ACHESIGMAR1
SCHEMBL9471123 0.76 SIGMAR1 (0.57) OPRM1CHRM2CHRM3ACHESIGMAR1
SCHEMBL9653759 0.75 OPRM1 (0.65) OPRM1CHRM2CHRM3ACHESIGMAR1
SCHEMBL20745434 0.74 DRD2 (0.59) ACHESIGMAR1
SCHEMBL9030647 0.74 SIGMAR1 (0.67) OPRM1CHRM2CHRM3ACHESIGMAR1
SCHEMBL31210944 0.73 HSD11B1 (0.48) OPRM1CHRM2CHRM3ACHESIGMAR1
SCHEMBL14276915 0.72 OPRM1 (0.58) OPRM1CHRM2CHRM3ACHESIGMAR1
SCHEMBL9651081 0.72 OPRM1 (0.61) OPRM1CHRM2CHRM3ACHESIGMAR1

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-20130096088-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2013-04-18 US disclosed
WO-2013044361-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2013-04-04 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-20130096088-A1 Inhibitors of Protein Tyrosine Kinase Activity KDR, FLT1, FLT4 OPRM1 4402/4885CHRM2 4825/4885CHRM3 4841/4885

“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.