SCHEMBL12425855

SCHEMBL12425855

Cc1nc(CN2CCC(C)CC2)n(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
ACHE P22303 4/20 0.41
HRH3 Q9Y5N1 2/20 0.41
TSHR P16473 5/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
GRM2 Q14416 1/20 0.39
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT1 Q99873 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL12384820 0.84 GRM2 (0.37) ALDH1A1TSHRTP53SMN1; SMN2DRD2
SCHEMBL12424513 0.70 ACHE (0.41) ALDH1A1ACHEHRH3TSHRSMN1; SMN2
SCHEMBL2606179 0.67 DCPS (0.46) ALDH1A1ACHEHRH3
SCHEMBL14375250 0.66 ACHE (0.38) ALDH1A1ACHEHRH3TSHRMEN1
SCHEMBL12424514 0.66 ACHE (0.51) ALDH1A1ACHEHRH3TSHRSMN1; SMN2
SCHEMBL12424519 0.66 ALDH1A1 (0.48) ALDH1A1ACHEHRH3SMN1; SMN2HSD17B10
SCHEMBL13492913 0.65 PDE10A (0.31) TSHRHSD17B10
SCHEMBL14375238 0.65 L3MBTL1 (0.51) ALDH1A1ACHEHRH3SMN1; SMN2MEN1
SCHEMBL15214324 0.65 TSHR (0.59) ALDH1A1ACHEHRH3TSHRDRD2
SCHEMBL20234635 0.64 CARM1 (0.65) ACHEHRH3CARM1PRMT6PRMT1

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
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
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 ALDH1A1 1168/4885ACHE 3858/4885HRH3 83/4885

“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.