SCHEMBL1769972

SCHEMBL1769972

COC(=O)c1cnc2c(c1)CC1CN(Cc3ccccc3-c3ccc(Cl)cc3)CCN21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.43
BCL2 P10415 13/20 0.42
BCL2L1 Q07817 9/20 0.42
BAK1 Q16611 6/20 0.42
DRD2 P14416 1/20 0.41
BDKRB1 P46663 1/20 0.37
CXCR3 P49682 1/20 0.37
IDO1 P14902 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL1769801 0.85 DRD2 (0.41) HTR7BCL2BCL2L1BAK1DRD2
SCHEMBL1769700 0.84 ALDH1A1 (0.44) DRD2
SCHEMBL1769685 0.84 HTR7 (0.45) HTR7BCL2BCL2L1BAK1DRD2
SCHEMBL5128824 0.78 BCL2 (0.44) HTR7BCL2BCL2L1BAK1DRD2
Trifluoroacetic Acid SCHEMBL1769915 0.78 F10 (0.38) BCL2BCL2L1BAK1IDO1
SCHEMBL5123692 0.77 DRD2 (0.51) HTR7BCL2BCL2L1BAK1DRD2
SCHEMBL5126392 0.77 DRD2 (0.51) HTR7BCL2BCL2L1BAK1DRD2
Hydrochloric Acid SCHEMBL5132534 0.76 DRD2 (0.50) HTR7BCL2BCL2L1BAK1DRD2
SCHEMBL5131792 0.74 HDAC1 (0.42) HTR7BCL2BCL2L1BAK1DRD2
SCHEMBL6110571 0.74 DRD2 (0.45) DRD2CXCR3

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 HTR7 261/4885BCL2 3/4885BCL2L1 56/4885

“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.