SCHEMBL6134423

SCHEMBL6134423

CCOC(=O)c1ccc(N2CCN(c3nnc(-c4ccc(OCCCCCCCOC)cc4)s3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.48
KCNH2 Q12809 1/20 0.48
MAPT P10636 6/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PLA2G2A P14555 3/20 0.41
TBXAS1 P24557 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
DDX3X O00571 1/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6135155 0.89 NR1H4 (0.49) HRH3MAPTHPGDTSHRTAAR1
SCHEMBL6132957 0.86 HRH3 (0.55) HRH3KCNH2MAPTHPGDTSHR
SCHEMBL6134124 0.80 MGAM (0.56) HRH3MAPTHPGDHSD17B10NPSR1
SCHEMBL6538754 0.79 THRA (0.59) HRH3KCNH2MAPTHPGDTSHR
SCHEMBL7340620 0.78 KCNH2 (0.62) HRH3KCNH2MAPTTSHRTBXAS1
SCHEMBL7397503 0.77 MAPT (0.56) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL7319177 0.77 MAPT (0.56) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL7324575 0.77 MAPT (0.56) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL6134366 0.77 MAPT (0.52) HRH3KCNH2MAPTHPGDTSHR
SCHEMBL6134614 0.76 DRD3 (0.47) HRH3MAPTTSHRALDH1A1USP2

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 HRH3 1440/4885KCNH2 2774/4885MAPT 1629/4885

“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.