SCHEMBL13873262

SCHEMBL13873262

CCCCOC1CNCCC12CCN(Cc1ccccc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ADAM17 P78536 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CCR5 P51681 2/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL16862429 0.84 MEN1 (0.50) MEN1KMT2ATSHRALDH1A1CYP2C9
SCHEMBL13873260 0.81 TSHR (0.51) MEN1KMT2ATSHRALDH1A1CYP2C9
SCHEMBL13873261 0.78 MMP1 (0.44) MEN1KMT2ATSHRALDH1A1CYP2C9
SCHEMBL16862199 0.74 TSHR (0.58) MEN1KMT2ATSHRALDH1A1CYP2C9
SCHEMBL13908390 0.73 ALDH1A1 (0.48) MEN1KMT2ATSHRALDH1A1CYP2C9
SCHEMBL6096871 0.71 SLC6A2 (0.38)
SCHEMBL6094584 0.71 SLC6A2 (0.38)
SCHEMBL6096868 0.71 SLC6A2 (0.38)
SCHEMBL17608949 0.70 TSHR (0.52) MEN1KMT2ATSHRALDH1A1CYP2C9
SCHEMBL3960811 0.70 CCR5 (0.43) MEN1KMT2ATSHRALDH1A1CYP2C9

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 MEN1 4450/4885KMT2A 3635/4885TSHR 549/4885

“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.