SCHEMBL3287779

SCHEMBL3287779

CN(C)CCCC(=O)N1CCc2ccc(C(=O)O)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MYC P01106 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HSD17B10 Q99714 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
NLRP3 Q96P20 1/20 0.45
HDAC6 Q9UBN7 2/20 0.43
KDM1A O60341 1/20 0.43
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
JAK2 O60674 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
Hydroxyamine SCHEMBL6531474 0.98 KDM4E (0.47) KDM4EMYCSIGMAR1HDAC3HDAC1
SCHEMBL2281138 0.88 HDAC6 (0.56) KDM4ESIGMAR1HDAC3HDAC1HDAC10
Hydrochloric Acid SCHEMBL1026159 0.87 HDAC6 (0.55) KDM4ESIGMAR1HDAC3HDAC1HDAC10
SCHEMBL6531478 0.86 KDM4E (0.44) KDM4ESIGMAR1HDAC3HDAC1HDAC10
SCHEMBL2281130 0.83 HDAC6 (0.60) SIGMAR1HDAC3HDAC1HDAC10HDAC11
Hydrochloric Acid SCHEMBL1027994 0.82 HDAC6 (0.59) SIGMAR1HDAC3HDAC1HDAC10HDAC11
SCHEMBL1082426 0.78 KDM4E (0.40) KDM4ESIGMAR1SMN1; SMN2HDAC6KDM1A
SCHEMBL3284599 0.78 KMT2A (0.51) KDM4EMYCHPGDKMT2AMEN1
SCHEMBL3284900 0.78 ACE (0.42) KDM4ESIGMAR1KDM1AALDH1A1
SCHEMBL1026202 0.77 NOTUM (0.61) MYCKMT2ASMN1; SMN2MEN1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705017-B2 Compounds for treatment of neurodegenerative diseases EN VIVO PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20060004041-A1 Compounds for treatment of neurodegenerative diseases ENVIVO PHARMACEUTICALS, INC. 2006-01-05 US 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-20060004041-A1 Compounds for treatment of neurodegenerative diseases HDAC5, HDAC6, HDAC3 KDM4E 171/4885MYC 4493/4885SIGMAR1 3309/4885

“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.