SCHEMBL7536573

SCHEMBL7536573

COc1ccccc1N1CCN(C[C@@H](C)N(C(=O)c2ccccc2)C(=O)c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.64
HTR1A P08908 4/20 0.60
DRD4 P21917 2/20 0.58
DRD3 P35462 2/20 0.58
HTR2A P28223 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
RECQL P46063 1/20 0.53

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
SCHEMBL7669931 1.00 DRD2 (0.64) DRD2HTR1ADRD4DRD3HTR2A
SCHEMBL12304200 0.80 DRD2 (0.66) DRD2HTR1ADRD4DRD3HTR2A
SCHEMBL11820623 0.80 HTR1A (0.66) DRD2HTR1ADRD4DRD3HTR2A
SCHEMBL7693542 0.79 DRD2 (0.70) DRD2HTR1ADRD4DRD3HTR2A
Fumaric Acid SCHEMBL7989873 0.79 HTR1A (0.67) DRD2HTR1ADRD4DRD3MEN1
SCHEMBL28972657 0.78 DRD2 (1.00) DRD2HTR1ADRD4DRD3HTR2A
SCHEMBL30547268 0.78 RECQL (0.68) DRD2HTR1ADRD3HTR2AMEN1
SCHEMBL11626341 0.78 RECQL (0.68) DRD2HTR1ADRD3HTR2AMEN1
SCHEMBL7542132 0.78 DRD2 (0.62) DRD2HTR1ADRD4DRD3HTR2A
SCHEMBL7537267 0.78 DRD2 (0.62) DRD2HTR1ADRD4DRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002538154-A 2002-11-12 JP claimed
EP-1157017-A1 N-SUBSTITUTED IMIDE DERIVATIVES WITH SEROTONERGIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-28 EP claimed
WO-2000052002-A1 N-SUBSTITUTED IMIDE DERIVATIVES WITH SEROTONERGIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-09-08 WO claimed
US-20020013324-A1 N-substituted imide derivatives with serotonergic activity AMERICAN HOME PRODUCTS CORPORATION 2002-01-31 US disclosed
EP-1157017-A1 N-SUBSTITUTED IMIDE DERIVATIVES WITH SEROTONERGIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-28 EP disclosed
WO-2000052002-A1 N-SUBSTITUTED IMIDE DERIVATIVES WITH SEROTONERGIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-09-08 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 (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-20020013324-A1 N-substituted imide derivatives with serotonergic activity TPH1, HTR1A, HTR1E DRD2 43/4885HTR1A 2/4885DRD4 74/4885

“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.