SCHEMBL6134473

SCHEMBL6134473

COCCCCCCCCN1CCC(Oc2ccc(C(=O)NN)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
OPRD1 P41143 2/20 0.52
LMNA P02545 2/20 0.52
HRH3 Q9Y5N1 9/20 0.50
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL6135261 0.90 KMT2A (0.50) OPRM1OPRD1LMNAHRH3KMT2A
SCHEMBL6135365 0.88 OPRM1 (0.49) OPRM1OPRD1LMNAHRH3KMT2A
SCHEMBL6135091 0.84 ALDH1A1 (0.49) LMNAHRH3ALDH1A1
SCHEMBL6135361 0.82 HRH3 (0.50) HRH3ALDH1A1
SCHEMBL5640035 0.81 HRH3 (0.54) HRH3CTSLCTSBCTSS
SCHEMBL6134957 0.81 CTSL (0.47) OPRM1OPRD1LMNAHRH3KMT2A
SCHEMBL6134964 0.81 KDM4E (0.60) LMNAHRH3KMT2AALDH1A1KDM4E
SCHEMBL6134380 0.80 HRH1 (0.49) OPRM1OPRD1LMNAHRH3KMT2A
SCHEMBL6135024 0.80 CTSL (0.46) OPRM1OPRD1LMNAHRH3KMT2A
SCHEMBL6134554 0.79 HRH3 (0.51) HRH3KMT2AMEN1

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 OPRM1 4731/4885OPRD1 4329/4885LMNA 2671/4885

“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.