SCHEMBL12425838

SCHEMBL12425838

CCC1CCc2nn(CC)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL12424353 0.82 F2 (0.37) HPGDGAAPOLBALDH1A1SMN1; SMN2
SCHEMBL25554164 0.75 GAA (0.33) HPGDGAAPOLBALDH1A1SMN1; SMN2
SCHEMBL18896278 0.72 HTT (0.59) HPGDGAAPOLBSMN1; SMN2TSHR
SCHEMBL17682605 0.72 HTT (0.54) HPGDGAAPOLBALDH1A1SMN1; SMN2
SCHEMBL24974028 0.70
SCHEMBL13885787 0.68 F2 (0.37) HPGDGAAALDH1A1SMN1; SMN2NPSR1
SCHEMBL12691665 0.67 CYP2C19 (0.41) GAAALDH1A1TSHR
SCHEMBL12510926 0.67 NOS3 (0.37) ALDH1A1L3MBTL1MAPTNOS3NOS1
SCHEMBL12489633 0.67 HTR2C (0.48) GAAPOLBSMN1; SMN2
SCHEMBL12643258 0.67 HTT (0.38) HPGDGAAPOLBALDH1A1SMN1; SMN2

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 HPGD 223/4885GAA 2545/4885POLB 660/4885

“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.