SCHEMBL1769700

SCHEMBL1769700

COC(=O)c1cnc2c(c1)CC1CN(Cc3ccccc3)CCN21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MCHR1 Q99705 1/20 0.43
MAPT P10636 1/20 0.42
P2RY12 Q9H244 1/20 0.42
DRD2 P14416 3/20 0.42
LMNA P02545 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
DRD4 P21917 2/20 0.39
CHRM4 P08173 1/20 0.39
FAAH O00519 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
SCHEMBL6110571 0.89 DRD2 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6111978 0.85 CXCR3 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6112043 0.85 PRKAB2 (0.53) KMT2AMCHR1DRD2DRD4
SCHEMBL1769972 0.84 HTR7 (0.43) DRD2
SCHEMBL6111246 0.84 CXCR3 (0.49) SMN1; SMN2MCHR1MAPTDRD2
SCHEMBL6111567 0.84 MEN1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6112338 0.84 MLNR (0.45) ALDH1A1SMN1; SMN2P2RY12DRD2DRD4
SCHEMBL6111569 0.84 CXCR3 (0.54) ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL6111270 0.83 CXCR3 (0.51) SMN1; SMN2MCHR1LMNAOPRM1CHRM4
SCHEMBL6111833 0.83 HDAC3 (0.48) CHRM4

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 ALDH1A1 2604/4885MEN1 2752/4885KMT2A 4394/4885

“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.