SCHEMBL12464685

SCHEMBL12464685

CCOCC1(F)CCN(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.36
OPRM1 P35372 4/20 0.33
KDM1A O60341 1/20 0.33
SLC22A1 O15245 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM3 P20309 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL15727445 0.88 VNN1 (0.32) VNN1
SCHEMBL24753273 0.82
SCHEMBL18704543 0.79 VNN1 (0.34) VNN1OPRM1KCNH2CHRM2
SCHEMBL8267935 0.78 KDM1A (0.34) KDM1ASLC6A4PIM1PIM2
SCHEMBL13605225 0.77 KDM1A (0.38) KDM1ACHRM2CHRM3
SCHEMBL12464686 0.77 OPRM1 (0.33) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL23158205 0.77 KDM1A (0.33) KDM1APIM1PIM2
SCHEMBL12395705 0.75 KDM1A (0.33) KDM1APIM1PIM2
SCHEMBL29346751 0.75 OPRM1 (0.35) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL22021012 0.73 KDM1A (0.32) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 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-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B VNN1 4754/4885OPRM1 4884/4885KDM1A 458/4885

“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.