SCHEMBL4874442

SCHEMBL4874442

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.71
ALDH1A1 P00352 6/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
HTT P42858 1/20 0.58
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
HTR1A P08908 1/20 0.55
KDM4E B2RXH2 1/20 0.55
GALR3 O60755 1/20 0.55
LMNA P02545 4/20 0.54
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 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
SCHEMBL4875447 0.92 POLB (0.82) POLBALDH1A1SMN1; SMN2HTR1ALMNA
SCHEMBL2897142 0.86 POLB (0.72) POLBALDH1A1CA1CA2HTR1A
SCHEMBL4874422 0.86 KMT2A (0.66) ALDH1A1SMN1; SMN2RAB9AKDM4ELMNA
SCHEMBL28181299 0.83 ALDH1A1 (0.60) POLBALDH1A1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL4474974 0.82 ALDH1A1 (0.70) POLBALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL9152022 0.82 CA12 (0.77) POLBALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL17444701 0.81 KCNH2 (0.73) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
Hydrochloric Acid SCHEMBL5358235 0.81 HTR1A (0.63) POLBALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL298658 0.80 GSK3B (0.73) POLBALDH1A1SMN1; SMN2HTR1ALMNA
SCHEMBL2375175 0.80 KMT2A (0.74) POLBALDH1A1SMN1; SMN2NPC1RAB9A

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 3119/4885ALDH1A1 1828/4885SMN1; SMN2 131/4885

“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.