SCHEMBL12424669

SCHEMBL12424669

CCC1CCN(c2cc(C#N)ccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
CHRM4 P08173 1/20 0.49
MALT1 Q9UDY8 1/20 0.47
PANK3 Q9H999 1/20 0.45
HTR7 P34969 1/20 0.43
USP30 Q70CQ3 1/20 0.43
PDE4D Q08499 1/20 0.43
HCRTR1 O43613 7/20 0.42
HCRTR2 O43614 7/20 0.42
LCAT P04180 1/20 0.42
CNR2 P34972 1/20 0.40
CDK1 P06493 1/20 0.40
LRRK2 Q5S007 1/20 0.40
DPP4 P27487 1/20 0.39
THRB P10828 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
SCHEMBL15014494 0.84 HRH3 (0.54) HRH3CHRM4MALT1PANK3HTR7
SCHEMBL13622626 0.82 CHRM4 (0.56) HRH3CHRM4MALT1PANK3HTR7
SCHEMBL20064100 0.81 HRH3 (0.51) HRH3CHRM4MALT1PANK3HTR7
SCHEMBL12384455 0.81 HRH3 (0.51) HRH3CHRM4MALT1PANK3HTR7
Hydrochloric Acid SCHEMBL3288531 0.80 HRH3 (0.50) HRH3CHRM4MALT1PANK3HTR7
SCHEMBL12424419 0.79 GPR119 (0.55) CHRM4PANK3DPP4
SCHEMBL20064451 0.79 PANK3 (0.49) HRH3MALT1PANK3HTR7USP30
SCHEMBL17371895 0.79 CNR2 (0.51) HRH3CHRM4MALT1PANK3HTR7
SCHEMBL31472951 0.79 CNR2 (0.51) HRH3CHRM4MALT1PANK3HTR7
SCHEMBL25818614 0.78 KDM4E (0.58) HRH3CHRM4MALT1PANK3USP30

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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 HRH3 83/4885CHRM4 2225/4885MALT1 46/4885

“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.