SCHEMBL4874296

SCHEMBL4874296

O=C(CN1CCN(CC(=O)c2ccc(Cl)cc2)CC1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
MAPT P10636 3/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP2C19 P33261 1/20 0.61
KDR P35968 1/20 0.61
HTR1A P08908 1/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
RAB9A P51151 1/20 0.55
SLC6A4 P31645 1/20 0.55
SLC6A3 Q01959 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 2/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 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
SCHEMBL15340905 0.93 KMT2A (0.64) ALDH1A1MAPTCYP3A4CYP2D6MAPK1
Hydrochloric Acid SCHEMBL4485907 0.89 ALDH1A1 (0.80) ALDH1A1MAPTCYP3A4CYP2D6MAPK1
SCHEMBL4875267 0.89 ALDH1A1 (0.79) ALDH1A1MAPTCYP3A4CYP2D6MAPK1
SCHEMBL26921192 0.86 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL4819694 0.85 ALDH1A1 (0.69) ALDH1A1MAPTCYP3A4CYP2D6MAPK1
SCHEMBL26921592 0.85 KMT2A (0.60) ALDH1A1MAPTMAPK1KDRMEN1
SCHEMBL10502013 0.84 ALDH1A1 (0.72) ALDH1A1MAPTCYP3A4CYP2D6MAPK1
SCHEMBL3840479 0.84 KDM4E (0.56) ALDH1A1MAPTCYP3A4CYP2D6MAPK1
SCHEMBL26921088 0.84 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL21044195 0.84 ALDH1A1 (0.72) ALDH1A1MAPTCYP3A4CYP2D6MAPK1

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 1828/4885MAPT 1776/4885CYP3A4 4228/4885

“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.