SCHEMBL6052098

SCHEMBL6052098

CN(C)C1CCN(c2ccc(N)cc2C#N)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 5/20 0.46
HTT P42858 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
WEE1 P30291 1/20 0.41
USP2 O75604 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
NR4A1 P22736 1/20 0.39
PTK2B Q14289 1/20 0.39
NOS3 P29474 3/20 0.37
NOS1 P29475 3/20 0.37
NOS2 P35228 3/20 0.37
RAD52 P43351 1/20 0.37

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
SCHEMBL1748798 0.92 GAA (0.48) MAPTGAAHSD17B10KDM4ELMNA
SCHEMBL24632953 0.84 PDCD1 (0.46) LMNAALDH1A1PDCD1CD274WEE1
SCHEMBL29990632 0.84 ALDH1A1 (0.65) MAPTGAAHSD17B10KDM4ELMNA
SCHEMBL6052380 0.83 GAA (0.46) MAPTGAAHSD17B10KDM4ELMNA
SCHEMBL15586058 0.82 ALDH1A1 (0.50) MAPTGAAHSD17B10KDM4ELMNA
SCHEMBL6052376 0.81 GAA (0.50) MAPTGAAHSD17B10KDM4ELMNA
SCHEMBL855438 0.81 HSD17B10 (0.53) MAPTGAAHSD17B10KDM4ELMNA
SCHEMBL20374357 0.81 ALDH1A1 (0.69) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL30656218 0.81 MAPT (0.61) MAPTGAAHSD17B10KDM4ELMNA
SCHEMBL3440298 0.81 MAPT (0.61) MAPTGAAHSD17B10KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 US disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 US disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
CN-1230421-C Amide compound and pharmaceutical use thereof MITSUBISHI CHEM CORP (JP) 2005-12-07 CN disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
CN-1346348-A Amide compound and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2002-04-24 CN disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP 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-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 MAPT 4445/4885GAA 1874/4885HSD17B10 1953/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 MAPT 4642/4885GAA 1426/4885HSD17B10 1026/4885

“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.