SCHEMBL8976528

SCHEMBL8976528

CC(C)(C)c1cn(CC(=O)C2CO2)nn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DPP4 P27487 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
SRC P12931 2/20 0.33
NEU4 Q8WWR8 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMPD1 P17405 4/20 0.30
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL10263355 0.78 L3MBTL1 (0.37) GPR88ALDH1A1
SCHEMBL18367579 0.77 NR1H4 (0.41) HRH4HRH3DPP4GPR88SRC
SCHEMBL8931483 0.77 HRH4 (0.41) HRH4HRH3DPP4GPR88SRC
SCHEMBL13184914 0.76 KDM4E (0.33) HRH4HRH3CA12CA9
SCHEMBL18016466 0.75 SMYD3 (0.42) HRH4HRH3DPP4GPR88SRC
SCHEMBL18999235 0.73 HRH4 (0.39) HRH4HRH3DPP4GPR88SRC
SCHEMBL18367617 0.72 SMN1; SMN2 (0.48) ALDH1A1
SCHEMBL18367577 0.72 L3MBTL1 (0.41) HRH4HRH3DPP4GPR88ALDH1A1
SCHEMBL19413458 0.71 MAPK1 (0.45) SRCALDH1A1
SCHEMBL19529669 0.69 HRH4 (0.41) HRH4HRH3DPP4GPR88NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 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 (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-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP HRH4 462/4885HRH3 206/4885DPP4 3175/4885

“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.