SCHEMBL6192016

SCHEMBL6192016

FC(F)(F)c1ccc2nc(CN3CCN(c4cccc5[nH]ccc45)CC3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.52
DRD3 P35462 3/20 0.52
DRD4 P21917 2/20 0.52
GOT1 P17174 3/20 0.51
GAA P10253 3/20 0.49
HTR1A P08908 2/20 0.48
HTR7 P34969 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRB1 P08588 1/20 0.42
HTR6 P50406 1/20 0.42
ADRA1A P35348 1/20 0.41
GNRHR P30968 1/20 0.40
MCHR1 Q99705 1/20 0.40
SRPK1 Q96SB4 2/20 0.40
PIK3CD O00329 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
SCHEMBL6195742 0.87 DRD2 (0.55) DRD2DRD3DRD4GOT1GAA
SCHEMBL6195824 0.86 GOT1 (0.52) DRD2DRD3DRD4GOT1GAA
SCHEMBL6194430 0.84 HTR1A (0.67) DRD2DRD3DRD4GOT1GAA
SCHEMBL6194332 0.83 DRD2 (0.52) DRD2DRD3DRD4GOT1GAA
SCHEMBL6192097 0.82 DRD2 (0.56) DRD2DRD3DRD4GOT1GAA
SCHEMBL6195534 0.78 GAA (0.45) DRD2DRD3DRD4GOT1GAA
SCHEMBL6195601 0.77 DRD2 (0.57) DRD2DRD3DRD4GOT1GAA
SCHEMBL6755108 0.75 MAOA (0.51) GAAMAPTMEN1KMT2AMCHR1
SCHEMBL6193954 0.75 DRD2 (0.57) DRD2DRD3DRD4GOT1GAA
SCHEMBL6752995 0.74 MCHR1 (0.47) DRD2DRD3DRD4HTR1AMAPT

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 3 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
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

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 163/4885DRD3 177/4885DRD4 494/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C DRD2 85/4885DRD3 95/4885DRD4 157/4885

“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.