SCHEMBL12424259

SCHEMBL12424259

CC1CCN(C(=O)C2CCN(C)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 6/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
ACHE P22303 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL12425844 0.89 LMNA (0.51) SMN1; SMN2ALDH1A1USP2HTTNPC1
SCHEMBL13745751 0.89 HTT (0.55) SMN1; SMN2ALDH1A1USP2KMT2AMEN1
SCHEMBL24491632 0.87 HTT (0.41) NAMPTSMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL24491633 0.87 HTT (0.41) NAMPTSMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL25512218 0.85 NAMPT (0.45) NAMPTSMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL25498361 0.85 NAMPT (0.45) NAMPTSMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL25511897 0.85 NAMPT (0.45) NAMPTSMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL25074005 0.85 HTT (0.59) NAMPTSMN1; SMN2ALDH1A1KMT2AHTT
SCHEMBL25074346 0.85 HTT (0.59) NAMPTSMN1; SMN2ALDH1A1KMT2AHTT
SCHEMBL14471382 0.85 HTT (0.59) NAMPTSMN1; SMN2ALDH1A1KMT2AHTT

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 NAMPT 1569/4885SMN1; SMN2 4086/4885ALDH1A1 1168/4885

“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.