SCHEMBL5013538

SCHEMBL5013538

O=C(CNc1ccccc1)N1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
RAB9A P51151 3/20 0.64
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
MALT1 Q9UDY8 1/20 0.55
PTGS2 P35354 1/20 0.54
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 2/20 0.52
NPC1 O15118 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.49

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
SCHEMBL29598743 0.98 ALDH1A1 (0.61) ALDH1A1RAB9ACHRM2CHRM4CHRM1
SCHEMBL2679227 0.89 ALDH1A1 (0.52) ALDH1A1RAB9ACHRM2CHRM4CHRM1
SCHEMBL6420791 0.84 MAPT (0.56) ALDH1A1RAB9AMAPTGAALMNA
SCHEMBL6214071 0.83 ALDH1A1 (0.51) ALDH1A1RAB9ACHRM2CHRM4CHRM1
SCHEMBL10282674 0.83 POLB (0.58) ALDH1A1RAB9AMALT1HTTKDM4E
SCHEMBL13779963 0.83 KDM1A (0.57) ALDH1A1RAB9APTGS2HTTKDM4E
SCHEMBL5433861 0.83 MALT1 (0.49) ALDH1A1RAB9ACHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL27851912 0.82 ALDH1A1 (0.50) ALDH1A1RAB9AMALT1PTGS2HTT
SCHEMBL28509553 0.81 ALDH1A1 (0.67) ALDH1A1RAB9ACHRM2CHRM4CHRM1
SCHEMBL30345222 0.81 ALDH1A1 (0.74) ALDH1A1RAB9ACHRM2CHRM4CHRM1

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
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-4702000-A1 ALKYLATION PROCESS University of Liverpool (GB) 2026-03-04 EP disclosed
WO-2024224034-A1 ALKYLATION PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2024-10-31 WO disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL ALDH1A1 1278/4885RAB9A 2748/4885CHRM2 2132/4885

“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.