SCHEMBL13617695

SCHEMBL13617695

CCCCC1CNC(=O)CC12CCN(Cc1ccccc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.43
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
CXCR3 P49682 1/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL13873260 0.81 TSHR (0.51) CCR5ABL1RIN1OPRL1MEN1
SCHEMBL4462811 0.79 OPRM1 (0.46) CCR5ABL1RIN1OPRM1OPRD1
SCHEMBL13873258 0.76 CCR5 (0.43) CCR5ABL1RIN1OPRM1OPRD1
SCHEMBL3959286 0.76 CCR5 (0.43) CCR5ABL1RIN1OPRM1OPRD1
SCHEMBL3960811 0.76 CCR5 (0.43) CCR5ABL1RIN1OPRM1OPRD1
SCHEMBL23145284 0.70 ACHE (0.53) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL13873261 0.70 MMP1 (0.44) CCR5ABL1RIN1OPRM1OPRD1
SCHEMBL12527074 0.68 SIGMAR1 (0.42) ABL1RIN1OPRL1CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL2456229 0.68 CCR5 (0.48) CCR5ABL1RIN1CXCR3MEN1
SCHEMBL13818191 0.68 TSHR (0.64) OPRM1OPRD1OPRK1OPRL1MEN1

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-20090281133-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-11-12 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-20090281133-A1 Heterocyclic antiviral compounds CCR5, CCR1, CCR2 CCR5 1/4885ABL1 3103/4885RIN1 186/4885

“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.