SCHEMBL9107623

SCHEMBL9107623

CC1(c2ccc(N)cc2)CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP19A1 P11511 9/20 0.41
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ACHE P22303 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP17A1 P05093 1/20 0.36
CYP11A1 P05108 1/20 0.36
TBXAS1 P24557 1/20 0.36
PMP22 Q01453 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3A Q14432 1/20 0.36
NFKB1 P19838 1/20 0.36
HSD11B2 P80365 1/20 0.36
KDM4E B2RXH2 1/20 0.34
OPRK1 P41145 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL10342095 0.95 ALDH1A1 (0.58) ALDH1A1L3MBTL1CYP19A1LMNAMEN1
SCHEMBL11023995 0.93 ALDH1A1 (0.61) ALDH1A1L3MBTL1CYP19A1LMNAMEN1
SCHEMBL2450572 0.90 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP19A1LMNAMEN1
SCHEMBL8503593 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL16357120 0.80 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYP19A1LMNAMEN1
SCHEMBL10602015 0.79 ESR1 (0.42) ALDH1A1L3MBTL1
SCHEMBL16786075 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP19A1LMNAMEN1
SCHEMBL214820 0.79 OPRD1 (0.50) ALDH1A1L3MBTL1CYP19A1LMNAMAPT
SCHEMBL8297897 0.78 MAOB (0.40) L3MBTL1MAPTKMT2AACHEHSD11B2
SCHEMBL9104504 0.77 TDP1 (0.39) ALDH1A1L3MBTL1MEN1KMT2ACYP3A4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
US-20180280422-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2018-10-04 US disclosed
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 EP disclosed
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 EP disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
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-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-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
EP-2646444-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2013-10-09 EP disclosed
WO-2012075381-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2012-06-07 WO disclosed
WO-2012075381-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2012-06-07 WO disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 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 (5 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-20180280422-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885L3MBTL1 699/4885CYP19A1 4067/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885L3MBTL1 699/4885CYP19A1 4067/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885L3MBTL1 699/4885CYP19A1 4067/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885L3MBTL1 699/4885CYP19A1 4067/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885L3MBTL1 699/4885CYP19A1 4067/4885

“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.