SCHEMBL12424660

SCHEMBL12424660

CCCC(=O)N1CCN(CCO)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRNB3 Q05901 1/20 0.46
CHRNA6 Q15825 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
HSD11B1 P28845 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
GNAI3 P08754 1/20 0.42
GNAI1 P63096 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 3/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL10975718 0.89 L3MBTL1 (0.55) TSHRHRH2HRH1L3MBTL1HSD11B1
SCHEMBL24745090 0.88 CHRNB2 (0.48) HRH2HRH1CHRNB2CHRNA3CHRNA4
SCHEMBL4685669 0.87 HRH2 (0.49) TSHRHRH2HRH1CHRNB2CHRNA3
SCHEMBL9633178 0.86 GNAI3 (0.61) TSHRHRH2HRH1L3MBTL1MEN1
SCHEMBL10076105 0.84 DRD3 (0.50) TSHRHRH2HRH1CHRNB2CHRNA3
SCHEMBL674671 0.83
SCHEMBL10663507 0.83 L3MBTL1 (0.58) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL11026569 0.83 HRH2 (0.45) HRH2HRH1CHRNB2CHRNA3CHRNA4
SCHEMBL84384 0.82 HSD11B1 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19618199 0.81 HRH2 (0.56) HRH2HRH1L3MBTL1MEN1KMT2A

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 TSHR 1082/4885HRH2 109/4885HRH1 103/4885

“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.