SCHEMBL1769816

SCHEMBL1769816

Brc1cnc2c(c1)CC1CN(Cc3ccccc3)CCN21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
LMNA P02545 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
BACE1 P56817 2/20 0.38
MC4R P32245 1/20 0.38
USP30 Q70CQ3 1/20 0.37
TRPC5 Q9UL62 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ADORA2A P29274 1/20 0.36
CYP1A2 P05177 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
SCHEMBL19878833 0.89 SIGMAR1 (0.39) DRD2SIGMAR1GRIN1GRIN2BBCHE
SCHEMBL19878837 0.89 SIGMAR1 (0.39) DRD2SIGMAR1GRIN1GRIN2BBCHE
SCHEMBL6110571 0.83 DRD2 (0.45) DRD2LMNASIGMAR1GRIN1GRIN2B
SCHEMBL1769826 0.81 DRD2 (0.51) DRD2SIGMAR1GRIN1GRIN2BMC4R
SCHEMBL1769700 0.79 ALDH1A1 (0.44) DRD2LMNAALDH1A1
SCHEMBL6111978 0.78 CXCR3 (0.53) LMNAALDH1A1
SCHEMBL3554987 0.78 DRD2 (0.47) DRD2SIGMAR1BCHEACHEBACE1
SCHEMBL3554991 0.78 DRD2 (0.47) DRD2SIGMAR1BCHEACHEBACE1
SCHEMBL6112043 0.78 PRKAB2 (0.53) DRD2SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL6112338 0.77 MLNR (0.45) DRD2ACHEALDH1A1

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 2186/4885LMNA 111/4885SIGMAR1 329/4885

“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.