SCHEMBL4500475

SCHEMBL4500475

Cc1ccc(CN2CCOCC2)c(N2CCC(N)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 5/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CXCR4 P61073 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
CYP1A2 P05177 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
SCHEMBL15831846 0.76 ALDH1A1 (0.44) HSD17B10KDM4EALDH1A1TRPV1POLB
SCHEMBL23344780 0.71 ALDH1A1 (0.43) HSD17B10KDM4EALDH1A1TRPV1POLB
SCHEMBL12530911 0.68 HSD17B10 (0.60) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL2529568 0.68 TSHR (0.48) HSD17B10ALDH1A1TRPV1SMN1; SMN2POLB
SCHEMBL20369843 0.68 ALDH1A1 (0.54) CYP2C9ALOX15HSD17B10KDM4EALDH1A1
SCHEMBL27253849 0.68 ALOX15 (0.51) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL30894752 0.68 ALOX15 (0.51) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL15831870 0.67 PIK3CA (0.42) HSD17B10KDM4EALDH1A1TRPV1SMN1; SMN2
SCHEMBL19175045 0.66 HSD17B10 (0.53) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL16269513 0.66 ALDH1A1 (0.59) HSD17B10KDM4EALDH1A1POLBGAA

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-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ CYP2A13 1542/4885CYP2C9 437/4885ALOX15 3753/4885

“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.