SCHEMBL10064191

SCHEMBL10064191

CC(=O)NC1CCN(CCN)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
CHRM1 P11229 2/20 0.46
GNAI3 P08754 2/20 0.44
GNAO1 P09471 2/20 0.44
GNAI1 P63096 2/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 1/20 0.44
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
ALOX15 P16050 1/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL6320408 0.90 LTA4H (0.49) LTA4HCHRM1GNAI3GNAO1GNAI1
SCHEMBL19924787 0.84 SIGMAR1 (0.44) LTA4HGNAI3GNAO1GNAI1CARM1
SCHEMBL8144691 0.84 LTA4H (0.48) LTA4HCHRM1DRD2DRD3CARM1
SCHEMBL13136091 0.84 EPHX1 (0.56) LTA4HEPHX1EPHX2L3MBTL1ALDH1A1
SCHEMBL27872386 0.83 CCR5 (0.43) GNAI3GNAO1GNAI1DRD2DRD3
SCHEMBL22560474 0.82 ALDH1A1 (0.40) LTA4HCHRM1GNAI3GNAO1GNAI1
SCHEMBL659496 0.81 LTA4H (0.49) LTA4HCHRM1DRD2DRD3CARM1
SCHEMBL4681787 0.81 CHRM1 (0.48) LTA4HCHRM1DRD2DRD3CARM1
SCHEMBL4681793 0.81 CHRM1 (0.48) LTA4HCHRM1DRD2DRD3CARM1
SCHEMBL12337290 0.79 EPHX1 (0.54) LTA4HEPHX1EPHX2L3MBTL1ALDH1A1

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-20120083489-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS GLAXOSMITHKLINE LLC 2012-04-05 US disclosed
WO-2010141539-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2010-12-09 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-20120083489-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R LTA4H 2090/4885CHRM1 342/4885GNAI3 2135/4885

“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.