SCHEMBL12712994

SCHEMBL12712994

CCc1cn(-c2ccc(/C=C/C(=O)N[C@@H](CO)Cc3ccccc3)cc2C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.47
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ CPB1 P15086 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.40
▸ NOS2 P35228 4/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ HDAC1 Q13547 7/20 0.38
▸ HDAC8 Q9BY41 6/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ APP P05067 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37

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
SCHEMBL1238742 0.89 PSEN1 (0.52) GSK3BPSEN1PSEN2APH1BNCSTN
SCHEMBL12739192 0.89 PSEN1 (0.52) GSK3BPSEN1PSEN2APH1BNCSTN
SCHEMBL1238740 0.89 PSEN1 (0.52) GSK3BPSEN1PSEN2APH1BNCSTN
SCHEMBL1237288 0.80 PSEN1 (0.62) GSK3BPSEN1PSEN2APH1BNCSTN
SCHEMBL1237290 0.80 PSEN1 (0.62) GSK3BPSEN1PSEN2APH1BNCSTN
SCHEMBL12712482 0.79 PSEN1 (0.51) GSK3BPSEN1PSEN2APH1BNCSTN
SCHEMBL1239501 0.73 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1239499 0.73 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12712992 0.73 SMN1; SMN2 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2949369 0.72 GSK3B (0.60) GSK3BNOS2HDAC1HDAC8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086860-A1 COMPOUND KIMURA TEIJI 2011-04-14 — — 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-20110086860-A1 COMPOUND ARRB1, NR3C2, ADRA2C GSK3B 3184/4885PSEN1 3654/4885PSEN2 3277/4885

“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.

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