SCHEMBL3460628

SCHEMBL3460628

O=C(N[C@@H]1CCc2ccccc21)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.83
▸ LMNA P02545 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ PDE4A P27815 1/20 0.64
▸ PDE4B Q07343 1/20 0.64
▸ PDE4C Q08493 1/20 0.64
▸ PDE4D Q08499 1/20 0.64
▸ TAS1R3 Q7RTX0 5/20 0.61
▸ TAS1R1 Q7RTX1 5/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ TAS1R2 Q8TE23 3/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ MEN1 O00255 2/20 0.60
▸ DHODH Q02127 1/20 0.59
▸ CYP2D6 P10635 1/20 0.56

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
SCHEMBL3459886 1.00 HTT (0.83) HTTLMNAKMT2APDE4APDE4B
SCHEMBL29742388 1.00 HTT (0.83) HTTLMNAKMT2APDE4APDE4B
SCHEMBL2465110 1.00 HTT (0.83) HTTLMNAKMT2APDE4APDE4B
SCHEMBL8160654 0.91 HTT (0.70) HTTLMNAKMT2APDE4APDE4B
SCHEMBL5436807 0.91 HTT (1.00) HTTLMNAKMT2ATAS1R3TAS1R1
SCHEMBL2406255 0.91 HTT (1.00) HTTLMNAKMT2ATAS1R3TAS1R1
SCHEMBL7152540 0.90 HTT (0.69) HTTLMNAKMT2APDE4APDE4B
SCHEMBL7152538 0.90 HTT (0.69) HTTLMNAKMT2APDE4APDE4B
SCHEMBL6570868 0.89 LMNA (0.69) HTTLMNAKMT2APDE4APDE4B
SCHEMBL19630401 0.88 HTT (0.66) HTTLMNAKMT2APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 — — US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 — — 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 HTT 3606/4885LMNA 3773/4885KMT2A 1273/4885

“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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