SCHEMBL10248675

SCHEMBL10248675

CCC1CC(CC(=O)N(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.36
DPP4 P27487 1/20 0.34
TSHR P16473 1/20 0.31

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
SCHEMBL10248745 0.83 SLC6A12 (0.37) ALDH1A1GAADPP4TSHR
SCHEMBL16399328 0.77
SCHEMBL10248709 0.75 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL24258352 0.73 SLC6A12 (0.30)
SCHEMBL16055768 0.73 KMT2A (0.42) ALDH1A1GAADPP4
SCHEMBL26755958 0.71 BCHE (0.36) ALDH1A1DPP4TSHR
SCHEMBL18505910 0.71 SLC6A1 (0.38) ALDH1A1GAADPP4
SCHEMBL6042973 0.71 KMT2A (0.45) ALDH1A1DPP4
SCHEMBL8684586 0.71 KMT2A (0.45) ALDH1A1DPP4
SCHEMBL28162736 0.71 LTA4H (0.33) ALDH1A1GAADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 US disclosed
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds Epizyme, Inc. (US) 2014-02-20 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 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-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885GAA 2247/4885DPP4 1847/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885GAA 2247/4885DPP4 1847/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885GAA 2247/4885DPP4 1847/4885

“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.