SCHEMBL6134375

SCHEMBL6134375

Nc1nnc(-c2ccc(OC3CCN(C4CCCCC4)CC3)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.52
KCNH2 Q12809 4/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL7325400 0.87 KDM4E (0.56) KDM4EALDH1A1TP53MAPTHSD17B10
SCHEMBL6135285 0.82 EPHX2 (0.52) HRH3KCNH2
SCHEMBL6134828 0.80 RAB9A (0.43) HRH3KCNH2KDM4EALDH1A1TP53
SCHEMBL4464014 0.77 HRH3 (0.68) HRH3KCNH2
SCHEMBL6134325 0.77 KDM4E (0.61) HRH3KDM4EALDH1A1TP53MAPT
SCHEMBL737639 0.74 HRH3 (0.63) HRH3KCNH2
SCHEMBL6132879 0.73 KDM4E (0.43) HRH3KDM4EALDH1A1TP53MAPT
Trifluoroacetic Acid SCHEMBL6132415 0.73 SLC18A3 (0.44) HRH3KDM4E
SCHEMBL4468194 0.71 HRH3 (0.58) HRH3KCNH2
SCHEMBL17533980 0.71 HRH3 (0.58) HRH3KCNH2

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 2774/4885KDM4E 4301/4885

“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.