SCHEMBL14451069

SCHEMBL14451069

Cc1ccnc2c1OCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
PKM P14618 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
MAPK13 O15264 1/20 0.30
CSNK1D P48730 1/20 0.30
CSNK1E P49674 1/20 0.30
MAPK12 P53778 1/20 0.30
KCNH2 Q12809 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
PARP1 P09874 1/20 0.30
BRD4 O60885 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
SCHEMBL18949699 0.89 ATM (0.37) CCR1CCR5CCR8NOS3NOS2
SCHEMBL12395081 0.77 ATM (0.34)
SCHEMBL30364177 0.76 MAPK13 (0.30) MAPK13CSNK1DCSNK1EMAPK12KCNH2
SCHEMBL16664914 0.76 PARP1 (0.30) PARP1
SCHEMBL30259052 0.76 PARP1 (0.30) PARP1
SCHEMBL25064264 0.76 MAPK13 (0.30) MAPK13CSNK1DCSNK1EMAPK12KCNH2
SCHEMBL25263347 0.76 PARP1 (0.30) PARP1
SCHEMBL15469467 0.74 LMNA (0.36) CCR1CCR5CCR8ADRA2AADRA2C
SCHEMBL15308536 0.73 CCR1 (0.35) CCR1CCR5CCR8NOS3NOS2
SCHEMBL22838646 0.73 HTR2A (0.33) NOS2ADRA2AADRA2C

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
WO-2013163190-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-10-31 WO disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 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-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 CCR1 464/4885CCR5 743/4885CCR8 432/4885

“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.