SCHEMBL13728322

SCHEMBL13728322

C[C@@H]1CCCN(Cc2ccc(C(=O)N(C)C)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.61
HRH4 Q9H3N8 1/20 0.61
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
AGTR1 P30556 1/20 0.51
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
KDM2B Q8NHM5 1/20 0.46
MCHR1 Q99705 1/20 0.46
BCHE P06276 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HDAC1 Q13547 1/20 0.45
MLNR O43193 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCR5 P51681 1/20 0.43

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
SCHEMBL13726472 0.92 HRH3 (0.51) HRH3HRH4HDAC1MLNRCCR5
SCHEMBL14032664 0.85 HRH3 (0.65) HRH3HRH4ALDH1A1LMNAAGTR1
SCHEMBL8244556 0.77 HRH3 (0.54) HRH3HRH4ALDH1A1LMNAHPGD
SCHEMBL16254956 0.77 GAA (0.58) HRH3HRH4ALDH1A1GAAKDM4E
SCHEMBL82814 0.77 HPGD (0.60) HRH3HRH4ALDH1A1LMNAHPGD
SCHEMBL25740940 0.77 GAA (0.58) HRH3HRH4ALDH1A1GAAKDM4E
SCHEMBL13726832 0.77 HPGD (0.60) HRH3HRH4ALDH1A1LMNAHPGD
SCHEMBL13727922 0.77 GAA (0.58) HRH3HRH4ALDH1A1GAAKDM4E
SCHEMBL20527329 0.77 HDAC1 (0.53) HRH3ALDH1A1MCHR1KDM4EHDAC1
SCHEMBL7762072 0.76 HRH3 (0.67) HRH3HRH4ALDH1A1LMNAHPGD

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-20090203663-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 US disclosed
US-20090203663-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 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-20090203663-A1 CHEMICAL COMPOUNDS ITGB5, ITGB1, ITGA2B HRH3 2121/4885HRH4 2369/4885ALDH1A1 565/4885

“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.