SCHEMBL3837995

SCHEMBL3837995

O=C(CN1CCN(CC(=O)c2ccccc2)CC1)NCc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.56
▸ MDM2 Q00987 1/20 0.56
▸ POLB P06746 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ NTRK1 P04629 2/20 0.50
▸ KAT2A Q92830 1/20 0.50
▸ KAT2B Q92831 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ YWHAG P61981 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NTRK3 Q16288 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 SCHEMBL3842578 0.99 MAPK1 (0.57) MAPK1ALDH1A1MDM2POLBSMN1; SMN2
SCHEMBL29078398 0.85 ALDH1A1 (0.62) ALDH1A1MDM2POLBALOX15HPGD
SCHEMBL13621137 0.85 ALDH1A1 (0.57) MAPK1ALDH1A1MDM2POLBSMN1; SMN2
SCHEMBL29078401 0.84 ALDH1A1 (0.75) MAPK1ALDH1A1MDM2POLBSMN1; SMN2
SCHEMBL6690507 0.82 ALOX15 (0.59) MAPK1ALDH1A1MDM2POLBSMN1; SMN2
SCHEMBL3838703 0.81 HTT (0.68) MAPK1ALDH1A1MDM2POLBGAA
SCHEMBL13621182 0.80 HTT (0.67) ALDH1A1MDM2POLBSMN1; SMN2ALOX15
SCHEMBL31232814 0.76 ATM (0.56) ALDH1A1MDM2POLBSMN1; SMN2HSD17B10
SCHEMBL29078387 0.76 SMN1; SMN2 (0.57) ALDH1A1POLBSMN1; SMN2NPSR1
SCHEMBL4875267 0.76 ALDH1A1 (0.79) MAPK1ALDH1A1POLBSMN1; SMN2ALOX15

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553092-B1 ARALKYL FORMYL-ALKYL PIPERAZINE DERIVATIVES AND THEIR USES AS CEREBRAL NERVE PROTECTIVE AGENT SHANGHAI INST PHARM INDUSTRY (CN) 2009-11-04 — — 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 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-B1 ARALKYL FORMYL-ALKYL PIPERAZINE DERIVATIVES AND THEIR USES AS CEREBRAL NERVE PROTECTIVE AGENT SHANGHAI INST PHARM INDUSTRY (CN) 2009-11-04 — — EP 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 (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 MAPK1 4075/4885ALDH1A1 1828/4885MDM2 1590/4885

“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.

Send feedback