SCHEMBL7653412

SCHEMBL7653412

Cc1cccc(C2CCN(CCCN)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.52
DRD1 P21728 7/20 0.52
DRD4 P21917 7/20 0.52
DRD5 P21918 7/20 0.52
DRD3 P35462 7/20 0.52
MCHR1 Q99705 1/20 0.51
HTR2C P28335 2/20 0.49
HTR1A P08908 6/20 0.48
SIGMAR1 Q99720 3/20 0.48
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 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
SCHEMBL7531102 0.85 SIGMAR1 (0.42) DRD2DRD4DRD3SIGMAR1MEN1
SCHEMBL12320891 0.82 SLC18A3 (0.67) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7480157 0.82 DRD2 (0.74) DRD2HTR2C
SCHEMBL6198442 0.82 SIGMAR1 (0.69) DRD2SIGMAR1MEN1TP53CYP1A2
SCHEMBL11280755 0.79 HTR7 (0.53) DRD2DRD1DRD4DRD5DRD3
SCHEMBL11619057 0.78 HTR2C (0.61) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4083042 0.77 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4083055 0.77 DRD2 (0.68) DRD2MCHR1
SCHEMBL5729329 0.77 SIGMAR1 (0.69) DRD2SIGMAR1MEN1TP53CYP1A2
SCHEMBL28755949 0.77 SIGMAR1 (0.48) DRD2DRD1DRD4DRD5DRD3

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
US-6444675-B2 PROMOTING WEIGHT LOSS AND TREATING EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2002-09-03 US disclosed
US-20010049370-A1 4-Alkyl and 4-cycloalkyl derivatives of dihydropyridine NPY antagonists SIT SING-YUEN (US) 2001-12-06 US disclosed
WO-2001085690-A1 4-ALKYL AND 4-CYCLOALKYL DERIVATIVES OF DIHYDROPYRIDINE NPY ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 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-20010049370-A1 4-Alkyl and 4-cycloalkyl derivatives of dihydropyridine NPY antagonists NPY4R, NPY1R, NPY5R DRD2 164/4885DRD1 188/4885DRD4 199/4885

“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.