SCHEMBL1769826

SCHEMBL1769826

c1ccc(CN2CCN3c4ncccc4CC3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
HTR3A P46098 3/20 0.46
HTR1A P08908 3/20 0.46
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
HTR2C P28335 2/20 0.46
HSD11B1 P28845 1/20 0.46
SIGMAR1 Q99720 4/20 0.42
CYP2D6 P10635 2/20 0.42
ADORA2A P29274 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
MC4R P32245 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL19878791 0.88 HTR2C (0.52) DRD2HTR3AHTR1AHTR3EHTR3B
SCHEMBL19878869 0.88 HTR2C (0.52) DRD2HTR3AHTR1AHTR3EHTR3B
SCHEMBL1769816 0.81 DRD2 (0.47) DRD2SIGMAR1CYP2D6ADORA2AGRIN1
SCHEMBL1352305 0.80 DRD2 (0.44) DRD2HTR3AHTR1AHTR3EHTR3B
SCHEMBL11594479 0.80 DRD2 (0.66) DRD2HTR1AHTR2CSIGMAR1CYP2D6
SCHEMBL22432745 0.78 HTR3A (0.65) DRD2HTR3AHTR1AHTR3EHTR3B
SCHEMBL1350975 0.78 HTR3E (0.46) DRD2HTR3AHTR1AHTR3EHTR3B
SCHEMBL6110571 0.78 DRD2 (0.45) DRD2SIGMAR1CYP2D6GRIN1GRIN2B
SCHEMBL1351568 0.77 HTR3E (0.47) DRD2HTR3AHTR1AHTR3EHTR3B
SCHEMBL24639876 0.75 HTR2A (0.58) DRD2HTR3AHTR1AHTR3EHTR3B

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 2186/4885HTR3A 707/4885HTR1A 224/4885

“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.