SCHEMBL7201323

SCHEMBL7201323

COc1cccc(C2CCN(CC(=O)NN)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
CHRM4 P08173 1/20 0.52
DRD4 P21917 4/20 0.50
DRD3 P35462 2/20 0.50
USP5 P45974 1/20 0.48
HTR2C P28335 2/20 0.48
NPY1R P25929 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CCR2 P41597 1/20 0.47
APP P05067 1/20 0.47

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
SCHEMBL4949320 0.86 DRD2 (0.64) DRD2SMN1; SMN2CHRM4USP5HTR2C
SCHEMBL7200383 0.85 DRD2 (0.66) DRD2SMN1; SMN2CHRM4DRD4DRD3
SCHEMBL7659138 0.80 DRD2 (0.69) DRD2SMN1; SMN2CHRM4USP5HTR2C
SCHEMBL14067226 0.79 DRD2 (0.72) DRD2CHRM4USP5HTR2CCCR2
SCHEMBL8350724 0.78 DRD2 (0.79) DRD2CHRM4HTR2C
SCHEMBL20240320 0.77 DRD2 (0.78) DRD2CHRM4HTR2CNPY1R
SCHEMBL8479052 0.77 DRD2 (0.78) DRD2HTR2CNPY1R
Hydrochloric Acid SCHEMBL30206729 0.76 DRD2 (0.56) DRD2CHRM4USP5HTR2CCCR2
SCHEMBL2637036 0.76 DRD2 (0.59) DRD2CHRM4USP5HTR2CCCR2
SCHEMBL14590572 0.76 QDPR (0.61) DRD2CHRM4USP5HTR2CCCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596724-B2 Used in promoting weight loss and treating eating disorders BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US disclosed
US-20020013323-A1 Oxadiazole and thiadiazole derivatives of dihydropyridine NPY antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-01-31 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-20020013323-A1 Oxadiazole and thiadiazole derivatives of dihydropyridine NPY antagonists NPY1R, NPY2R, NPY5R DRD2 52/4885SMN1; SMN2 2598/4885CHRM4 1834/4885

“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.