SCHEMBL6192598

SCHEMBL6192598

COc1cccc2ccc(CN3CCN(c4cccc5[nH]ccc45)CC3)nc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.54
DRD4 P21917 8/20 0.54
DRD3 P35462 8/20 0.54
GAA P10253 3/20 0.53
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
HTR1A P08908 3/20 0.46
HTR7 P34969 2/20 0.46
GOT1 P17174 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR6 P50406 1/20 0.44
ADRA1A P35348 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43

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
SCHEMBL6195601 0.85 DRD2 (0.57) DRD2DRD4DRD3GAAMAPT
SCHEMBL6193954 0.85 DRD2 (0.57) DRD2DRD4DRD3GAAMAPT
SCHEMBL6194430 0.81 HTR1A (0.67) DRD2DRD4DRD3GAAMAPT
SCHEMBL6194332 0.80 DRD2 (0.52) DRD2DRD4DRD3GAAMAPT
SCHEMBL6192097 0.78 DRD2 (0.56) DRD2DRD4DRD3GAAMAPT
SCHEMBL6195742 0.77 DRD2 (0.55) DRD2DRD4DRD3GAAMAPT
SCHEMBL2162347 0.73 GAA (0.57) DRD2DRD4DRD3GAAMAPT
SCHEMBL6192016 0.73 DRD2 (0.52) DRD2DRD4DRD3GAAMAPT
SCHEMBL6195824 0.72 GOT1 (0.52) DRD2DRD4DRD3GAAMAPT
SCHEMBL7607154 0.72 DRD2 (0.54) DRD2DRD4DRD3GAAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 EP disclosed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 EP disclosed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 US disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 WO 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 (2 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E DRD2 163/4885DRD4 494/4885DRD3 177/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C DRD2 85/4885DRD4 157/4885DRD3 95/4885

“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.