SCHEMBL6133982

SCHEMBL6133982

CC(C)CCCOC1CCN(c2ccc(C(=O)NN)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
ACACB O00763 3/20 0.41
SMYD3 Q9H7B4 3/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL6134785 0.87 MAPT (0.50) HDAC3HDAC8MAPTKDM4ELMNA
SCHEMBL6135350 0.87 HDAC3 (0.47) HDAC3HDAC8ACACBMAPTKDM4E
SCHEMBL6132500 0.86 SMYD3 (0.43) HDAC3HDAC8ACACBSMYD3MAPT
SCHEMBL6134735 0.86 SMYD3 (0.43) HDAC3HDAC8ACACBSMYD3MAPT
SCHEMBL6132370 0.86 SMYD3 (0.43) HDAC3HDAC8ACACBSMYD3MAPT
SCHEMBL6134206 0.86 HDAC3 (0.47) HDAC3HDAC8SMYD3MAPTKDM4E
SCHEMBL6135042 0.83 FDFT1 (0.44) MAPTSMN1; SMN2ALDH1A1KMT2AHRH3
SCHEMBL6134505 0.80 GPR119 (0.41) HDAC3HDAC8ACACBSMYD3MAPT
SCHEMBL6135070 0.78 ALDH1A1 (0.39) HDAC3HDAC8ACACBMAPTKDM4E
SCHEMBL6135608 0.77 NR1H4 (0.48) USP2HRH3

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 HDAC3 1145/4885HDAC8 2744/4885ACACB 4561/4885

“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.