SCHEMBL6487385

SCHEMBL6487385

CC1(C)NN(c2ccccc2)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.37
KDM4E B2RXH2 2/20 0.37
GFER P55789 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
G6PD P11413 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ELANE P08246 2/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
ALOX12 P18054 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 2/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL1461676 0.69 AR (0.47) GAAMMP2MMP9GSK3AGSK3B
SCHEMBL11049814 0.65 ALDH1A1 (0.38) GAAKDM4EMMP2MMP9G6PD
SCHEMBL30393814 0.65 GRK5 (0.46) GAAKDM4EMMP2MMP9L3MBTL1
SCHEMBL265915 0.65 GAA (0.41) GAAKDM4EGFERMMP2MMP9
SCHEMBL12927891 0.64 HSD17B10 (0.57)
SCHEMBL4814877 0.64 GAA (0.43) GAAKDM4EG6PDL3MBTL1ALDH1A1
SCHEMBL271530 0.64 G6PD (0.55) GAAG6PDL3MBTL1ALDH1A1MAPT
SCHEMBL9007793 0.63 G6PD (0.50) GAAG6PDL3MBTL1ALDH1A1MAPT
SCHEMBL11465842 0.63 AR (0.68) SMN1; SMN2ELANECACNA1BAPBA1ALOX12
SCHEMBL7975058 0.62 G6PD (0.56) GAAG6PDL3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951858-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-04 US disclosed
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-04-07 US disclosed
EP-1414808-A1 1,2,4-TRIAZIN-3,5-DIONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRH) ANTAGONISTS Neurocrine Biosciences, Inc. (US) 2004-05-06 EP disclosed
US-6673796-B2 SEXUAL DISORDERS NEUROCRINE BIOSCIENCES, INC. 2004-01-06 US disclosed
US-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-06-19 US disclosed
WO-2003011841-A1 1,2,4-TRIAZIN-3,5-DIONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRH) ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2003-02-13 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 (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-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GAA 1127/4885KDM4E 2382/4885GFER 1883/4885
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, LHCGR, GHRHR GAA 1431/4885KDM4E 2406/4885GFER 1817/4885

“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.