SCHEMBL10245151

SCHEMBL10245151

CCN1CCCC1CNC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PIM1 P11309 1/20 0.41
DRD2 P14416 1/20 0.41
ACHE P22303 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 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
SCHEMBL10245202 1.00 ALDH1A1 (0.51) ALDH1A1L3MBTL1HTTKMT2AATM
SCHEMBL15471248 1.00 ALDH1A1 (0.51) ALDH1A1L3MBTL1HTTKMT2AATM
SCHEMBL8170005 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1HTTKMT2AATM
SCHEMBL12056294 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1HTTKMT2AATM
SCHEMBL12056293 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1HTTKMT2AATM
SCHEMBL13900452 0.79 ALDH1A1 (0.49) ALDH1A1L3MBTL1HTTKMT2AATM
SCHEMBL12477858 0.79 ALDH1A1 (0.60) ALDH1A1L3MBTL1HTTKMT2AATM
SCHEMBL1913128 0.79 ALDH1A1 (0.60) ALDH1A1L3MBTL1HTTKMT2AATM
SCHEMBL2856353 0.79 ALDH1A1 (0.60) ALDH1A1L3MBTL1HTTKMT2AATM
SCHEMBL3242516 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1HTTKMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-10-14 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 US disclosed
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US disclosed
US-7384937-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-06-10 US disclosed
US-20070191426-A1 Derivatives of 3-aminocarbonylquinoline, pharmaceutical compositions containing them and processes and intermediates for their preparation GLAXO GROUP LIMITED (GB) 2007-08-16 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 (4 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-20070191426-A1 Derivatives of 3-aminocarbonylquinoline, pharmaceutical compositions containing them and processes and intermediates for their preparation PDE4B, PDE4A, PDE3B ALDH1A1 503/4885L3MBTL1 4870/4885HTT 4603/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 ALDH1A1 2282/4885L3MBTL1 4111/4885HTT 3071/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 ALDH1A1 1939/4885L3MBTL1 2853/4885HTT 868/4885
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 ALDH1A1 2573/4885L3MBTL1 3826/4885HTT 2725/4885

“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.