SCHEMBL6135024

SCHEMBL6135024

COCCCCCCCCN1CCC(Oc2ccc(-c3nnc(-c4ccc(C(=O)OC)cc4)s3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
BCHE P06276 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
Hydrochloric Acid SCHEMBL6133784 0.91 CSNK2A2 (0.48) CTSLCTSBCTSSOPRM1OPRD1
SCHEMBL6135261 0.89 KMT2A (0.50) CTSLCTSBCTSSOPRM1OPRD1
SCHEMBL6134946 0.87 DGAT1 (0.44) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL6135365 0.85 OPRM1 (0.49) CTSLCTSBCTSSOPRM1OPRD1
SCHEMBL6134955 0.85 HRH3 (0.41) HRH3
SCHEMBL6134957 0.85 CTSL (0.47) CTSLCTSBCTSSOPRM1OPRD1
SCHEMBL6134742 0.85 HDAC3 (0.49) CTSLCTSBCTSSOPRM1OPRD1
SCHEMBL6134614 0.83 DRD3 (0.47) ALDH1A1HTTCSNK2A2CSNK2A1HRH3
SCHEMBL6134473 0.80 OPRM1 (0.52) CTSLCTSBCTSSOPRM1OPRD1
SCHEMBL7319177 0.80 MAPT (0.56) LMNAMEN1KMT2AALDH1A1KDM4E

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 CTSL 222/4885CTSB 1244/4885CTSS 491/4885

“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.