SCHEMBL5537598

SCHEMBL5537598

Cc1cc(OC2CCOCC2)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.50
ACVR1 Q04771 1/20 0.47
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
CYP1A2 P05177 2/20 0.45
GRM5 P41594 1/20 0.44
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 3/20 0.43
SYK P43405 1/20 0.43
KAT2B Q92831 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LRRK2 Q5S007 1/20 0.40
LMNA P02545 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
SCHEMBL5529553 0.83 NCF1 (0.50) NCF1HCRTR1HCRTR2CYP1A2
Hydrochloric Acid SCHEMBL23360389 0.82 NCF1 (0.49) NCF1HCRTR1HCRTR2CYP1A2
Hydrochloric Acid SCHEMBL29862481 0.82 NCF1 (0.49) NCF1HCRTR1HCRTR2CYP1A2
SCHEMBL5528217 0.82 HRH3 (0.52) NCF1ACVR1HCRTR1HCRTR2CYP1A2
SCHEMBL5531767 0.78 HCRTR1 (0.51) NCF1HCRTR1HCRTR2CYP1A2KDM4E
SCHEMBL5532963 0.77 NCF1 (0.58) NCF1GAASMN1; SMN2
SCHEMBL5532160 0.77 HTR1D (0.44) NCF1HCRTR1HCRTR2LMNA
SCHEMBL10254874 0.76 DHFR (0.43) NCF1ACVR1GRM5PDE4DSYK
SCHEMBL8095793 0.76 SCN8A (0.46) HCRTR1HCRTR2
SCHEMBL5528119 0.76 ADAM17 (0.44) NCF1HCRTR1HCRTR2

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-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 NCF1 2805/4885ACVR1 4830/4885HCRTR1 887/4885

“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.