SCHEMBL6134446

SCHEMBL6134446

CCOC1CCN(c2ccc(-c3nnc(N)s3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 4/20 0.51
HSD17B10 Q99714 3/20 0.51
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.45
PIM1 P11309 2/20 0.43
PIM3 Q86V86 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
MGAM O43451 4/20 0.42
GAA P10253 4/20 0.42
SI P14410 4/20 0.42
MGAM2 Q2M2H8 4/20 0.42
HPGD P15428 2/20 0.42
NOTUM Q6P988 2/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL6134574 0.91 KDM4E (0.53) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL6135056 0.89 RAB9A (0.57) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL6132331 0.84 RAB9A (0.44) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL6132879 0.81 KDM4E (0.43) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL6134325 0.80 KDM4E (0.61) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL8160141 0.77 KDM4E (0.54) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL5311598 0.77 MAPT (0.53) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL7325194 0.76 GAA (0.53) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL6134831 0.75 RAB9A (0.44) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL7316756 0.74 KDM4E (0.51) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10

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-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 KDM4E 4301/4885RAB9A 3326/4885SMN1; SMN2 3682/4885

“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.