SCHEMBL4875258

SCHEMBL4875258

O=C(CC1CNCCN1CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DAO P14920 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 4/20 0.40
CYP1A2 P05177 2/20 0.40

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
Hydrochloric Acid SCHEMBL3838026 0.99 KMT2A (0.43) KMT2ASIGMAR1ALDH1A1KDM4EMEN1
SCHEMBL370008 0.82 TAAR1 (0.53) KMT2ASIGMAR1ALDH1A1KCNH2HRH1
SCHEMBL10772614 0.81 KMT2A (0.45) KMT2ASIGMAR1ALDH1A1KDM4EMEN1
SCHEMBL10772014 0.81 ALDH1A1 (0.50) KMT2ASIGMAR1ALDH1A1KDM4EMEN1
SCHEMBL5160892 0.77 SLC6A4 (0.57) TDP1CA1CA2CA4CA9
SCHEMBL7116763 0.75 SLC6A1 (0.44) CA1CA2CA4CA9SLC6A2
SCHEMBL27739884 0.75 PARP1 (0.48) KMT2AKDM4ECA1CA2CA4
SCHEMBL25154352 0.74 SLC6A2 (0.47) KMT2ASIGMAR1ALDH1A1MEN1CA1
SCHEMBL19506980 0.74 SIGMAR1 (0.46) KMT2ASIGMAR1ALDH1A1KDM4EMEN1
SCHEMBL3840395 0.74 ALDH1A1 (0.49) KMT2AALDH1A1KDM4EMEN1HPGD

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 KMT2A 3987/4885SIGMAR1 3862/4885ALDH1A1 1828/4885

“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.