SCHEMBL1769731

SCHEMBL1769731

COC(=O)c1cc2c(cn1)N1CCN(Cc3ccccc3)CC1C2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DRD4 P21917 1/20 0.39
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
MCHR1 Q99705 1/20 0.39
HTR1A P08908 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
SCHEMBL1769685 0.84 HTR7 (0.45) DRD2
SCHEMBL1770010 0.83 DRD2 (0.50) DRD2DRD4
SCHEMBL1769700 0.80 ALDH1A1 (0.44) DRD2ALDH1A1LMNAMEN1KMT2A
SCHEMBL1769838 0.75 DRD2 (0.45) DRD2DRD4
SCHEMBL11592645 0.75 DRD2 (0.53) DRD2LMNA
SCHEMBL6112343 0.74 DRD2 (0.47) DRD2ALDH1A1LMNAMEN1KMT2A
SCHEMBL6110571 0.72 DRD2 (0.45) DRD2ALDH1A1LMNAMEN1KMT2A
SCHEMBL11594479 0.72 DRD2 (0.66) DRD2MEN1KMT2ADRD4HTR1A
SCHEMBL5126406 0.72 ACHE (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL1769681 0.72 HTR2C (0.43)

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 DRD2 2186/4885ALDH1A1 2604/4885LMNA 111/4885

“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.