SCHEMBL3066003

SCHEMBL3066003

CC1(C)CC(=O)Nc2c(COC3CCCCO3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDK2 Q15119 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
PTPN1 P18031 1/20 0.32
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
GRM5 P41594 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6221081 0.73 PDK2 (0.58) MEN1KMT2APDK2
SCHEMBL3070542 0.72 KDM4C (0.31) KDM4C
SCHEMBL18355699 0.70 TACR1 (0.46) MEN1KMT2AKDM4CEP300CREBBP
SCHEMBL8887331 0.70 KDM4C (0.41) MEN1KMT2AKDM4CEP300CREBBP
SCHEMBL12375131 0.70 GABRA1 (0.46) MEN1KMT2AKDM4CEP300CREBBP
SCHEMBL29790952 0.68 MEN1 (0.35) MEN1KMT2AKDM4CEP300CREBBP
SCHEMBL28953084 0.68 MEN1 (0.35) MEN1KMT2AKDM4CEP300CREBBP
SCHEMBL11068192 0.68 KDM4C (0.38) MEN1KMT2AKDM4CEP300CREBBP
SCHEMBL8760072 0.68 KDM4C (0.38) MEN1KMT2AKDM4CEP300CREBBP
SCHEMBL8759396 0.68 MEN1 (0.36) MEN1KMT2AKDM4CPTPN1EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 MEN1 2817/4885KMT2A 3839/4885PDK2 321/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 MEN1 2817/4885KMT2A 3839/4885PDK2 321/4885

“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.