SCHEMBL5534962

SCHEMBL5534962

CCc1nc(NCCOC)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.62
CYP3A4 P08684 11/20 0.62
HSD17B10 Q99714 4/20 0.62
KDM4E B2RXH2 3/20 0.62
LDHA P00338 1/20 0.61
USP2 O75604 6/20 0.61
CYP2C19 P33261 5/20 0.61
CLK4 Q9HAZ1 5/20 0.61
ALDH1A1 P00352 5/20 0.61
CYP2D6 P10635 4/20 0.61
ALOX15 P16050 4/20 0.61
MAPK1 P28482 1/20 0.61
TSHR P16473 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
HPGD P15428 1/20 0.58
HBB P68871 1/20 0.58

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
SCHEMBL4779679 0.82 APP (0.71) CYP1A2CYP3A4HSD17B10KDM4ELDHA
SCHEMBL8897898 0.82 CYP1A2 (0.68) CYP1A2CYP3A4HSD17B10KDM4ELDHA
SCHEMBL1084153 0.81 CYP1A2 (0.79) CYP1A2CYP3A4HSD17B10KDM4EUSP2
SCHEMBL4867969 0.81 MAPT (0.59) CYP1A2CYP3A4HSD17B10KDM4ELDHA
SCHEMBL28414968 0.80 LDHA (0.62) CYP1A2CYP3A4HSD17B10KDM4ELDHA
SCHEMBL31649377 0.78 KDM4E (0.56) CYP1A2CYP3A4HSD17B10KDM4EUSP2
SCHEMBL3110568 0.77 APP (0.71) CYP1A2CYP3A4HSD17B10USP2CYP2C19
SCHEMBL11246544 0.76 LDHA (1.00) CYP1A2CYP3A4HSD17B10KDM4ELDHA
SCHEMBL23723479 0.74 KMT2A (0.70) CYP1A2CYP3A4HSD17B10KDM4ELDHA
SCHEMBL8890175 0.74 PDE5A (0.55) CYP1A2CYP3A4HSD17B10KDM4ELDHA

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 CYP1A2 4734/4885CYP3A4 4532/4885HSD17B10 3870/4885

“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.