SCHEMBL6134442

SCHEMBL6134442

COC(=O)c1ccc(-c2nnc(-c3ccc(N4CCN(C5CCCCCC5)CC4)cc3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.55
PDE4D Q08499 1/20 0.48
PDE7A Q13946 1/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
USP2 O75604 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
SCHEMBL6135132 0.99 HRH3 (0.56) HRH3PDE4DPDE7AESR1ESR2
SCHEMBL6134997 0.91 HRH3 (0.47) HRH3PDE4DPDE7AESR1ESR2
SCHEMBL6375985 0.90 HRH3 (0.59) HRH3PDE4DPDE7AESR1ESR2
SCHEMBL7317032 0.89 ALDH1A1 (0.52) HRH3ESR1ESR2ALDH1A1KMT2A
SCHEMBL6132470 0.89 HRH3 (0.45) HRH3PDE4DPDE7AESR1ESR2
SCHEMBL6134222 0.87 HRH3 (0.53) HRH3PDE4DPDE7AESR1ESR2
SCHEMBL6134406 0.87 HRH3 (0.53) HRH3PDE4DPDE7AESR1ESR2
SCHEMBL7339724 0.86 ALDH1A1 (0.52) HRH3PDE4DPDE7AALDH1A1KMT2A
SCHEMBL6135316 0.86 HRH3 (0.52) HRH3ESR1ESR2KMT2AMEN1
SCHEMBL6135547 0.85 HRH3 (0.52) HRH3PDE4DPDE7AESR1ESR2

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 1440/4885PDE4D 3531/4885PDE7A 2601/4885

“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.