SCHEMBL4837899

SCHEMBL4837899

NCC(=O)N1CC=C(c2ccccc2CN2CCOCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2A13 Q16696 4/20 0.41
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EED O75530 1/20 0.39
RBBP4 Q09028 1/20 0.39
SUZ12 Q15022 1/20 0.39
EZH2 Q15910 1/20 0.39
CYP2C9 P11712 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
BRD4 O60885 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
SCHEMBL4779407 0.89 NAMPT (0.46) NAMPTKMT2AMEN1CYP2A13LMNA
SCHEMBL27723067 0.80 ALDH1A1 (0.40) KMT2AMEN1CYP2A13LMNAKDM4E
SCHEMBL4775570 0.78 AKR1C3 (0.42) CYP2A13CNR1
SCHEMBL27723069 0.75 CYP2A13 (0.39) KMT2AMEN1CYP2A13LMNAKDM4E
SCHEMBL4775765 0.75 CYP2A13 (0.40) KMT2AMEN1CYP2A13LMNAKDM4E
SCHEMBL2228234 0.69 KDM4E (0.58) KMT2AMEN1CYP2A13LMNAKDM4E
SCHEMBL4775621 0.68 MEN1 (0.61) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL3436390 0.67 AKR1C3 (0.53) KMT2ALMNAALDH1A1GAAMAPT
SCHEMBL22324766 0.67 HRH3 (0.55) NAMPTKMT2AMEN1ALDH1A1
SCHEMBL11193326 0.67 CYP2A13 (0.75) KMT2AMEN1CYP2A13LMNAKDM4E

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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US claimed
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 NAMPT 217/4885KMT2A 41/4885MEN1 1807/4885

“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.