SCHEMBL4875447

SCHEMBL4875447

O=C(CN1CCN(CC(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.82
HTR1A P08908 1/20 0.62
ALDH1A1 P00352 3/20 0.59
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HSD11B1 P28845 1/20 0.54
ALOX5 P09917 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GSK3B P49841 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL2897142 0.94 POLB (0.72) POLBHTR1AALDH1A1CES1LMNA
SCHEMBL4874442 0.92 POLB (0.71) POLBHTR1AALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL4474974 0.89 ALDH1A1 (0.70) POLBALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL298658 0.87 GSK3B (0.73) POLBHTR1AALDH1A1MAPTLMNA
SCHEMBL27580337 0.84 POLB (0.60) POLBALDH1A1MAPTLMNATDP1
SCHEMBL4039612 0.84 POLB (0.64) POLBALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4875267 0.83 ALDH1A1 (0.79) POLBALDH1A1CES1MAPTSMN1; SMN2
SCHEMBL287513 0.83 KCNJ1 (0.73) POLB
SCHEMBL4477185 0.80 CES1 (0.70) POLBHTR1AALDH1A1CES2CES1
SCHEMBL9207986 0.80 CES1 (0.70) POLBALDH1A1CES2CES1MAPT

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 POLB 3119/4885HTR1A 2773/4885ALDH1A1 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.