SCHEMBL6245478

SCHEMBL6245478

[CH2]NCCNC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
EPHX1 P07099 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46
MALT1 Q9UDY8 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA7 P43166 1/20 0.42
BCHE P06276 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GFER P55789 1/20 0.41
IDO1 P14902 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
SCHEMBL3341020 0.89 TDP1 (0.67) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL1487914 0.88 TDP1 (0.62) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL25304212 0.83 TDP1 (0.56) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL9998912 0.83 TDP1 (0.60) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL21182184 0.83 TDP1 (0.60) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL631719 0.83 TDP1 (0.60) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL15427310 0.83 TDP1 (0.60) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL20801639 0.83 TDP1 (0.60) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL24187365 0.82 TDP1 (0.55) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL8270677 0.81 TDP1 (0.58) TDP1MEN1GAAKMT2AEPHX1

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-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (3 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-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 TDP1 598/4885MEN1 1738/4885GAA 252/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 TDP1 814/4885MEN1 1865/4885GAA 256/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR TDP1 644/4885MEN1 3951/4885GAA 428/4885

“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.