SCHEMBL4875267

SCHEMBL4875267

O=C(CN1CCN(CC(=O)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.79
SLC6A4 P31645 2/20 0.64
SLC6A3 Q01959 2/20 0.64
CYP3A4 P08684 2/20 0.63
MAPT P10636 2/20 0.63
MAPK1 P28482 2/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C19 P33261 1/20 0.63
POLB P06746 2/20 0.60
KMT2A Q03164 5/20 0.58
MEN1 O00255 2/20 0.58
KDR P35968 1/20 0.57
CHRM3 P20309 1/20 0.55
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
CES1 P23141 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTR2A P28223 1/20 0.54

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
SCHEMBL21044195 0.94 ALDH1A1 (0.72) ALDH1A1SLC6A4SLC6A3CYP3A4MAPT
SCHEMBL9381303 0.92 ALDH1A1 (0.69) ALDH1A1SLC6A4SLC6A3CYP3A4MAPT
SCHEMBL10689561 0.91 ALDH1A1 (0.68) ALDH1A1SLC6A4SLC6A3CYP3A4MAPT
SCHEMBL11736207 0.91 ALDH1A1 (0.68) ALDH1A1SLC6A4SLC6A3CYP3A4MAPT
SCHEMBL3928222 0.90 ALDH1A1 (0.69) ALDH1A1SLC6A4SLC6A3CYP3A4MAPT
Hydrochloric Acid SCHEMBL11071334 0.89 ALDH1A1 (0.66) ALDH1A1SLC6A4SLC6A3CYP3A4MAPT
SCHEMBL4874422 0.89 KMT2A (0.66) ALDH1A1MAPK1KMT2AMEN1KDM4E
SCHEMBL8341481 0.89 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPTMAPK1CYP2D6
SCHEMBL4874296 0.89 ALDH1A1 (0.71) ALDH1A1SLC6A4SLC6A3CYP3A4MAPT
SCHEMBL351380 0.89 POLB (0.74) ALDH1A1MAPTPOLBKMT2AMEN1

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 10 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-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase CENTRE HOSPITALIER DE L'UNIVERSITE DE MONTREAL (CA) 2023-09-28 US disclosed
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase CENTRE HOSPITALIER DE L'UNIVERSITE DE MONTREAL (CA) 2023-09-28 US disclosed
US-20200246365-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE CENTRE HOSPITALIER DE L'UNIVERSITÉ DE MONTRÉAL (CA) 2020-08-06 US disclosed
WO-2019046931-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-03-14 WO disclosed
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 (3 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 1828/4885SLC6A4 3781/4885SLC6A3 3392/4885
US-20200246365-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE RAN, RANBP1, GDI2 ALDH1A1 4502/4885SLC6A4 2520/4885SLC6A3 2755/4885
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase RAN, RANBP1, GDI2 ALDH1A1 4502/4885SLC6A4 2520/4885SLC6A3 2755/4885

“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.