SCHEMBL1769811

SCHEMBL1769811

COC(=O)C1CCc2cc(OC)ncc2N1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNA2 Q15822 1/20 0.42
IGF1R P08069 1/20 0.41
KMT2A Q03164 2/20 0.36
NNMT P40261 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RIPK1 Q13546 6/20 0.34
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
HPGDS O60760 1/20 0.33

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
SCHEMBL1558843 0.88 ALDH1A1 (0.44) CHRNB2CHRNB4CHRNA4CHRNA2NNMT
SCHEMBL28849076 0.77 GAA (0.45) CHRNB2CHRNB4CHRNA4CHRNA2NNMT
SCHEMBL30358032 0.76 ALDH1A1 (0.51) IGF1RALDH1A1TP53CYP1A2HPGD
SCHEMBL7335768 0.76 ALDH1A1 (0.51) IGF1RALDH1A1TP53CYP1A2HPGD
SCHEMBL12503258 0.76 IGF1R (0.42) CHRNB2CHRNA4IGF1RKMT2AALDH1A1
SCHEMBL29878652 0.74 KMT2A (0.38) CHRNB2CHRNB4CHRNA4CHRNA2KMT2A
SCHEMBL1769713 0.74 KMT2A (0.38) CHRNB2CHRNB4CHRNA4CHRNA2KMT2A
SCHEMBL1769760 0.74 MTNR1A (0.37) IGF1RKMT2ANNMTALDH1A1TP53
SCHEMBL3893061 0.73 IGF1R (0.46) IGF1RKMT2AALDH1A1TP53CYP1A2
SCHEMBL4580336 0.73 IGF1R (0.44) IGF1RKMT2AALDH1A1HPGDS

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-20110112104-A1 TRICYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LES LABORATOIRES SERVIER (FR) 2011-05-12 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-20110112104-A1 TRICYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. BAX, CASP3, BCL2 CHRNB2 3720/4885CHRNB4 4281/4885CHRNA4 4036/4885

“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.