SCHEMBL12712992

SCHEMBL12712992

CCc1cn(-c2ccc(/C=C/C(=O)NC3CCc4ccccc43)cc2C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PDE2A O00408 1/20 0.39
▸ PSEN1 P49768 2/20 0.38
▸ PSEN2 P49810 2/20 0.38
▸ APH1B Q8WW43 2/20 0.38
▸ NCSTN Q92542 2/20 0.38
▸ APH1A Q96BI3 2/20 0.38
▸ PSENEN Q9NZ42 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ NTRK1 P04629 2/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TAOK1 Q7L7X3 1/20 0.37
▸ TAOK3 Q9H2K8 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ TAS1R2 Q8TE23 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 2/20 0.36

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
SCHEMBL12712985 0.93 SMN1; SMN2 (0.46) SMN1; SMN2PDE2APSEN1PSEN2APH1B
SCHEMBL12712982 0.87 SMN1; SMN2 (0.48) SMN1; SMN2PDE2APSEN1PSEN2APH1B
SCHEMBL12712984 0.86 SMN1; SMN2 (0.46) SMN1; SMN2PDE2APSEN1PSEN2APH1B
SCHEMBL1237513 0.83 PSEN1 (0.45) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL1237516 0.83 PSEN1 (0.45) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL14870575 0.83 SMN1; SMN2 (0.49) SMN1; SMN2PDE2AALDH1A1CCR2HTT
SCHEMBL1239910 0.82 PSEN1 (0.45) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL1239908 0.82 PSEN1 (0.45) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL1238768 0.82 PSEN1 (0.46) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL14870584 0.82 SMN1; SMN2 (0.44) SMN1; SMN2PDE2APSEN1PSEN2APH1B

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 SMN1; SMN2 1928/4885PDE2A 1530/4885PSEN1 3654/4885

“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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