SCHEMBL5407076

SCHEMBL5407076

CC(=O)CC(=O)N1CCCN(Cc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 3/20 0.58
PKM P14618 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 1/20 0.55
FAAH O00519 1/20 0.55
KMT2A Q03164 2/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 1/20 0.54
GRIN2B Q13224 2/20 0.53
EEF2K O00418 1/20 0.53

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
SCHEMBL3035971 0.85 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2LMNAKDM4EFAAH
SCHEMBL6771405 0.85 HRH3 (0.68) ALDH1A1SMN1; SMN2LMNAPKMNPSR1
SCHEMBL5247018 0.82 FAAH (0.63) ALDH1A1SMN1; SMN2LMNAKDM4EFAAH
SCHEMBL8192193 0.80 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2LMNAKDM4EFAAH
Hydrochloric Acid SCHEMBL27884130 0.80 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAPKMNPSR1
SCHEMBL8188406 0.80 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2LMNAKDM4EKMT2A
SCHEMBL15224104 0.80 FAAH (0.60) ALDH1A1SMN1; SMN2LMNAKDM4EFAAH
SCHEMBL2841801 0.79 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2LMNAKDM4EFAAH
SCHEMBL544161 0.79 SIGMAR1 (0.68) ALDH1A1SMN1; SMN2LMNAKDM4EFAAH
SCHEMBL1943497 0.79 HRH3 (0.75) ALDH1A1SMN1; SMN2LMNAKDM4EFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247645-B2 Dihydropyridine derivatives AJINOMOTO CO., INC. (JP) 2007-07-24 US disclosed
US-20020147222-A1 Dihydropyridine derivatives AJINOMOTO CO. INC (JP) 2002-10-10 US disclosed
EP-1191021-A1 DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-03-27 EP 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-20020147222-A1 Dihydropyridine derivatives CACNA1B, CACNA1D, CACNA1C ALDH1A1 2039/4885SMN1; SMN2 331/4885LMNA 1847/4885

“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.