SCHEMBL1769685

SCHEMBL1769685

COC(=O)c1cc2c(cn1)N1CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC1C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.45
DRD2 P14416 1/20 0.44
BCL2 P10415 9/20 0.41
BCL2L1 Q07817 7/20 0.41
BAK1 Q16611 2/20 0.40
IDO1 P14902 1/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TACR2 P21452 1/20 0.36
TACR1 P25103 1/20 0.36
TACR3 P29371 1/20 0.36
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 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
Trifluoroacetic Acid SCHEMBL1769733 0.85 DRD2 (0.45) HTR7DRD2BCL2BCL2L1BAK1
SCHEMBL1769731 0.84 DRD2 (0.46) DRD2
SCHEMBL1769972 0.84 HTR7 (0.43) HTR7DRD2BCL2BCL2L1BAK1
SCHEMBL5126392 0.78 DRD2 (0.51) HTR7DRD2BCL2BCL2L1BAK1
SCHEMBL5123692 0.78 DRD2 (0.51) HTR7DRD2BCL2BCL2L1BAK1
Trifluoroacetic Acid SCHEMBL1769923 0.78 DRD2 (0.39) HTR7DRD2IDO1
Hydrochloric Acid SCHEMBL5132534 0.78 DRD2 (0.50) HTR7DRD2BCL2BCL2L1BAK1
SCHEMBL5128824 0.76 BCL2 (0.44) HTR7DRD2BCL2BCL2L1BAK1
SCHEMBL5131792 0.74 HDAC1 (0.42) HTR7DRD2BCL2BCL2L1BAK1
Trifluoroacetic Acid SCHEMBL1769801 0.73 DRD2 (0.41) HTR7DRD2BCL2BCL2L1BAK1

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 261/4885DRD2 2186/4885BCL2 3/4885

“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.