SCHEMBL6538540

SCHEMBL6538540

N#Cc1ccc(N2CCC(C3CCN(C4CCCCC4)CC3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.58
MEN1 O00255 1/20 0.52
L3MBTL3 Q96JM7 6/20 0.51
L3MBTL1 Q9Y468 6/20 0.51
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
GPR119 Q8TDV5 1/20 0.44
MBTD1 Q05BQ5 1/20 0.44
KCNH2 Q12809 1/20 0.42

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
SCHEMBL725292 0.86 L3MBTL3 (0.71) HRH3MEN1L3MBTL3L3MBTL1KDM4E
SCHEMBL10395267 0.84 L3MBTL3 (0.73) HRH3MEN1L3MBTL3L3MBTL1KDM4E
SCHEMBL3767914 0.83 HRH3 (0.51) HRH3MEN1L3MBTL3L3MBTL1KDM4E
SCHEMBL5209493 0.83 HRH3 (0.60) HRH3MEN1L3MBTL3L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL5214091 0.82 HRH3 (0.59) HRH3MEN1L3MBTL3L3MBTL1KDM4E
SCHEMBL5800431 0.81 KDM4E (0.61) HRH3MEN1L3MBTL3L3MBTL1KDM4E
SCHEMBL7315490 0.81 L3MBTL3 (0.50) HRH3MEN1L3MBTL3L3MBTL1KDM4E
SCHEMBL7989190 0.79 L3MBTL3 (0.54) HRH3MEN1L3MBTL3L3MBTL1KDM4E
SCHEMBL6538634 0.78 KDM4E (0.53) HRH3KDM4ETP53GPR119KCNH2
SCHEMBL22848341 0.78 KDM4E (0.50) HRH3MEN1L3MBTL3L3MBTL1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA HRH3 2167/4885MEN1 2457/4885L3MBTL3 4143/4885

“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.