SCHEMBL13730657

SCHEMBL13730657

CC(C)c1ccc(N2CCCCC2)nn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CNR2 P34972 2/20 0.42
HPGD P15428 1/20 0.41
CHRM4 P08173 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
PANK3 Q9H999 2/20 0.40
OGA O60502 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL13729416 0.98 CYP1A2 (0.52) CYP1A2CNR2HPGDCHRM4SMN1; SMN2
SCHEMBL13466378 0.84 DRD2 (0.47) CYP1A2PANK3OGANPC1ALDH1A1
SCHEMBL20045994 0.82 HRH3 (0.50) CYP1A2PANK3OGAALDH1A1
SCHEMBL20203428 0.82 BPTF (0.57) CYP1A2HTTPANK3ALDH1A1MAPK1
SCHEMBL11960318 0.82 ALDH1A1 (0.51) CNR2HPGDSMN1; SMN2HTTNPC1
SCHEMBL14503215 0.82 CYP1A2 (0.75) CYP1A2CNR2HPGDCHRM4SMN1; SMN2
SCHEMBL22006820 0.81 NPC1 (0.50) SMN1; SMN2HTTPANK3OGANPC1
SCHEMBL20046660 0.80 LMNA (0.37) CYP1A2SMN1; SMN2HTTPANK3OGA
SCHEMBL20255432 0.79 HRH4 (0.39) CYP1A2HPGDCHRM4SMN1; SMN2HTT
SCHEMBL18291669 0.79 HRH3 (0.46) PANK3OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R CYP1A2 1621/4885CNR2 15/4885HPGD 2625/4885

“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.