SCHEMBL4866787

SCHEMBL4866787

O=C(CN1CCN(CC(=O)c2ccc3ccccc3c2)CC1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.67
ALDH1A1 P00352 3/20 0.60
MAPT P10636 2/20 0.55
KDM4E B2RXH2 2/20 0.55
NPC1 O15118 1/20 0.55
PTPN1 P18031 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR1A P08908 2/20 0.52
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.50

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 SCHEMBL3842041 0.98 ACHE (0.66) ACHEALDH1A1MAPTKDM4ENPC1
SCHEMBL27544887 0.85 ACHE (0.61) ACHEALDH1A1MAPTKDM4EPTPN1
SCHEMBL4875267 0.85 ALDH1A1 (0.79) ALDH1A1MAPTKDM4ECYP3A4CYP2D6
Hydrochloric Acid SCHEMBL27470973 0.84 ACHE (0.60) ACHEALDH1A1MAPTKDM4EPTPN1
SCHEMBL15870498 0.82 HRH3 (0.57) ACHEALDH1A1KDM4ENPC1PTPN1
Hydrochloric Acid SCHEMBL9032828 0.81 ACHE (0.67) ACHEALDH1A1MAPTKDM4ENPC1
SCHEMBL10460706 0.81 ACHE (1.00) ACHESLC6A4
SCHEMBL6350293 0.80 MEN1 (0.68) ACHEALDH1A1CYP3A4CYP2D6MAPK1
Hydrochloric Acid SCHEMBL9371874 0.80 ACHE (0.98) ACHESLC6A4
SCHEMBL1003111 0.80 KDM4E (0.65) ALDH1A1MAPTKDM4ENPC1PTPN1

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 ACHE 95/4885ALDH1A1 1828/4885MAPT 1776/4885

“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.