SCHEMBL12712482

SCHEMBL12712482

Cc1cn(-c2ccc(/C=C/C(=O)N[C@@H](F)Cc3ccccc3)cc2C)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 3/20 0.51
▸ PSEN2 P49810 3/20 0.51
▸ APH1B Q8WW43 3/20 0.51
▸ NCSTN Q92542 3/20 0.51
▸ APH1A Q96BI3 3/20 0.51
▸ PSENEN Q9NZ42 3/20 0.51
▸ NOS2 P35228 5/20 0.41
▸ NOS3 P29474 2/20 0.41
▸ NOS1 P29475 2/20 0.41
▸ HDAC1 Q13547 5/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ CAPN1 P07384 1/20 0.38
▸ TPH1 P17752 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GSK3B P49841 1/20 0.38

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
SCHEMBL12738496 0.89 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12712501 0.81 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1239499 0.79 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1239501 0.79 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12712994 0.79 GSK3B (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1239322 0.78 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1238978 0.78 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1237290 0.78 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1239913 0.78 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1239917 0.78 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 3654/4885PSEN2 3277/4885APH1B 2478/4885

“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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