SCHEMBL12333385

SCHEMBL12333385

CCc1ccccc1C(=O)N1CCN(CC)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.55
ALDH1A1 P00352 5/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HTT P42858 2/20 0.54
HSD11B1 P28845 2/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
TSHR P16473 3/20 0.52
HRH3 Q9Y5N1 1/20 0.47
CHRM1 P11229 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL31520480 0.86 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EHTTKMT2A
SCHEMBL15966080 0.85 L3MBTL1 (0.62) HRH4ALDH1A1LMNAKDM4EHTT
SCHEMBL13905030 0.85 HTT (0.57) ALDH1A1HTTKMT2AMEN1TSHR
SCHEMBL14899243 0.84 HTT (0.71) ALDH1A1LMNAHTTHSD11B1KMT2A
SCHEMBL18284787 0.81 RXFP1 (0.62) HRH4ALDH1A1HTTKMT2AMEN1
SCHEMBL31520500 0.81 RXFP1 (0.62) HRH4ALDH1A1HTTKMT2AMEN1
SCHEMBL13347722 0.81 ALDH1A1 (0.69) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL12305558 0.80 HSD11B1 (0.49) HRH4ALDH1A1LMNAKDM4EHTT
SCHEMBL15966084 0.80 KMT2A (0.68) HRH4ALDH1A1KDM4EHTTKMT2A
SCHEMBL12859460 0.79 ACHE (0.59) ALDH1A1KDM4EKMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-04-22 US disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 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 (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-20090247526-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 HRH4 4708/4885ALDH1A1 1869/4885LMNA 1829/4885
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 HRH4 2415/4885ALDH1A1 820/4885LMNA 3799/4885

“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.