SCHEMBL4874455

SCHEMBL4874455

COc1ccc(C(=O)CN2CCN(CC(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.76
LMNA P02545 2/20 0.76
KDM4E B2RXH2 1/20 0.76
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
KDR P35968 1/20 0.63
MAPT P10636 2/20 0.62
HTR1A P08908 1/20 0.61
CHRM3 P20309 1/20 0.61
NPC1 O15118 2/20 0.58
PKM P14618 1/20 0.58
GRIN2B Q13224 1/20 0.57
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
TP53 P04637 1/20 0.57
RAB9A P51151 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
SCHEMBL15935698 0.87 ALDH1A1 (0.94) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL15503835 0.86 ALDH1A1 (0.97) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL3838003 0.86 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL11108027 0.86 MAPT (0.64) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL4875267 0.85 ALDH1A1 (0.79) ALDH1A1KDM4EMEN1KMT2AKDR
SCHEMBL3838145 0.85 LMNA (0.67) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL4871531 0.85 LMNA (0.71) ALDH1A1LMNAKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL4875943 0.85 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL4873283 0.84 LMNA (0.66) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL3837620 0.84 HTR1A (0.67) ALDH1A1LMNAKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326710-B2 Aralkyl formyl-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2008-02-05 US claimed
US-20050153981-A1 Aralkyl formly-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2005-07-14 US claimed
EP-1553092-A1 ARALKYL FORMYL-ALKYL PIPERAZINE DERIVATIVES AND THEIR USES AS CEREBRAL NERVE PROTECTIVE AGENT Shanghai Institute of Pharmaceutical Industry (CN) 2005-07-13 EP claimed
US-7326710-B2 Aralkyl formyl-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2008-02-05 US disclosed
US-20050153981-A1 Aralkyl formly-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2005-07-14 US disclosed
EP-1553092-A1 ARALKYL FORMYL-ALKYL PIPERAZINE DERIVATIVES AND THEIR USES AS CEREBRAL NERVE PROTECTIVE AGENT Shanghai Institute of Pharmaceutical Industry (CN) 2005-07-13 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-20050153981-A1 Aralkyl formly-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent GAP43, FABP7, AGK ALDH1A1 1828/4885LMNA 1002/4885KDM4E 3745/4885

“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.