SCHEMBL13873261

SCHEMBL13873261

CCCCOC1C(=O)NCCC12CCN(Cc1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ADAM17 P78536 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CCR5 P51681 10/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
CYP3A4 P08684 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
CYP2D6 P10635 2/20 0.40

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
SCHEMBL16862315 0.85 CYP2D6 (0.43) MEN1KMT2ACCR5TSHRALDH1A1
SCHEMBL3959286 0.81 CCR5 (0.43) MMP1MMP9MMP13ADAM17MEN1
SCHEMBL3960811 0.81 CCR5 (0.43) MMP1MMP9MMP13ADAM17MEN1
SCHEMBL13873258 0.81 CCR5 (0.43) MMP1MMP9MMP13ADAM17MEN1
SCHEMBL13873262 0.78 MEN1 (0.48) MMP1MMP9MMP13ADAM17MEN1
SCHEMBL13908440 0.74 ALDH1A1 (0.41) MEN1KMT2ACCR5TSHRALDH1A1
SCHEMBL2453256 0.70 CCR5 (0.52) MEN1KMT2ACCR5TSHRALDH1A1
SCHEMBL13873260 0.70 TSHR (0.51) MMP1MMP9MMP13ADAM17MEN1
SCHEMBL13617695 0.70 CCR5 (0.43) MEN1KMT2ACCR5TSHRALDH1A1
SCHEMBL6553757 0.69 MEN1 (0.43) MMP1MMP9MEN1KMT2ATSHR

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-20090093501-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-04-09 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-20090093501-A1 Heterocyclic antiviral compounds CCR5, CCR1, CCR2 MMP1 3519/4885MMP9 3524/4885MMP13 3582/4885

“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.