SCHEMBL4770914

SCHEMBL4770914

NC1(C(=O)N2Cc3ccccc3C2)CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP9 Q86TI2 1/20 0.54
DPP7 Q9UHL4 1/20 0.54
CNR2 P34972 1/20 0.45
NOTUM Q6P988 2/20 0.43
ALDH1A1 P00352 2/20 0.41
DPP4 P27487 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HSP90B1 P14625 1/20 0.41
TRAP1 Q12931 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
GRM1 Q13255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5310777 0.82 KDM4E (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29677121 0.82 KDM4E (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL197941 0.78 KDM4E (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL197940 0.78 KDM4E (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL197942 0.78 KDM4E (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29380732 0.78 KDM4E (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL4835592 0.77 KDM4E (0.59) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7448215 0.77 KDM4E (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2468652 0.77 KDM4E (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL17604963 0.77 KDM4E (0.59) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP claimed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US claimed
CN-101282932-A Carboxyamine compounds and their use in the treatment of HDAC dependent diseases NOVARTIS AG (CH) 2008-10-08 CN claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO claimed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 DPP9 848/4885DPP7 921/4885CNR2 475/4885

“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.