SCHEMBL4908205

SCHEMBL4908205

CC1CN(c2ccncc2)CCN1C(=O)C(N)Cc1ccc(Br)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.37
DPP4 P27487 3/20 0.37
DPP8 Q6V1X1 3/20 0.37
DPP7 Q9UHL4 2/20 0.37
GRM1 Q13255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMO Q99835 1/20 0.34
F10 P00742 2/20 0.34
KIT P10721 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
DPP9 Q86TI2 2/20 0.34
AKT1 P31749 1/20 0.34
FAAH O00519 1/20 0.34
FAP Q12884 1/20 0.33
SLC6A7 Q99884 2/20 0.33
ITGB3 P05106 1/20 0.33

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
SCHEMBL4780105 0.71 KDM4E (0.51) ALDH1A1KDM4EMAPTL3MBTL1AKT1
SCHEMBL4771004 0.70 SMN1; SMN2 (0.50) DPP4MAPTHTTTDP1AKT1
SCHEMBL4774404 0.69 KDM4E (0.50) DPP4KDM4EMAPTHTTTDP1
SCHEMBL4908893 0.69 HDAC8 (0.48) DPP4GRM1AKT1
SCHEMBL16065008 0.67 CES2 (0.42) ALDH1A1KDM4EMAPTHTTTDP1
SCHEMBL4780021 0.66 MAPT (0.46) ALDH1A1KDM4EMAPTHTTAKT1
SCHEMBL16131652 0.66 L3MBTL1 (0.44) ALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL2264385 0.66 AKT1 (0.52) AKT1
SCHEMBL17322382 0.66 AGTR2 (0.52) SCD5GRM1SMOFAAH
SCHEMBL21740806 0.66 AGTR2 (0.52) SCD5GRM1SMOFAAH

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 1 patent. 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

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 SCD5 1212/4885DPP4 616/4885DPP8 1164/4885

“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.