SCHEMBL6635643

SCHEMBL6635643

CCC(O)CCC(=O)NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
EPHX2 P34913 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
SLC1A1 P43005 1/20 0.55
ALDH1A1 P00352 2/20 0.54
HTT P42858 1/20 0.54
TSHR P16473 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
FAAH O00519 1/20 0.51

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
SCHEMBL7293964 0.83 GAA (0.58) GAAEPHX2L3MBTL1CYP3A4CYP2C19
SCHEMBL6637761 0.82 ALDH1A1 (0.56) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL19176882 0.82 GAA (0.66) GAAEPHX2L3MBTL1CYP3A4CYP2C19
SCHEMBL770934 0.80 CYP3A4 (0.87) GAAEPHX2L3MBTL1CYP3A4CYP2C19
SCHEMBL7166881 0.79 GAA (0.62) GAAEPHX2L3MBTL1CYP3A4CYP2C19
SCHEMBL29313120 0.79 GAA (0.62) GAAEPHX2L3MBTL1CYP3A4CYP2C19
SCHEMBL28856870 0.79 L3MBTL1 (0.64) GAAEPHX2L3MBTL1CYP3A4CYP2C19
SCHEMBL557056 0.79 SLC1A1 (0.67) GAAEPHX2L3MBTL1CYP3A4CYP2C19
SCHEMBL7912375 0.79 EPHX2 (0.81) GAAEPHX2L3MBTL1CYP3A4CYP2C19
SCHEMBL15006781 0.79 TRPV1 (0.57) GAAEPHX2CYP3A4CYP2C19MEN1

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-1380585-B1 Pyrazolopyridinone as intermediate PFIZER PROD INC (US) 2004-11-10 EP disclosed
EP-1380585-A1 Pyrazolopyridinone Pfizer Products Inc. (US) 2004-01-14 EP disclosed
EP-1048667-B1 Process for preparing 8-cyclopentyl-6-ethyl-3-(substituted)-5,8-dihydro-4H-1,2,3A,7,8-pentaaza-as-indacenes and intermediates useful therein PFIZER PROD INC (US) 2003-10-22 EP disclosed
US-6326495-B2 HEATING A MIXTURE OF CAPROLACTONE AND P-METHOXYBENZYLAMINE; CYCLIZATION PFIZER INC. 2001-12-04 US disclosed
US-20010039347-A1 Process for preparing 8-cyclopentyl-6-ethyl-3-[substituted]-5,8-dihydro-4h-1,2,3a,7,8-pentaaza-as-indacenes and intermediates useful therein PFIZER PRODUCTS INC. 2001-11-08 US disclosed
EP-1048667-A1 Process for preparing 8-cyclopentyl-6-ethyl-3-(substituted)-5,8-dihydro-4H-1,2,3A,7,8-pentaaza-as-indacenes and intermediates useful therein Pfizer Products Inc. (US) 2000-11-02 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-20010039347-A1 Process for preparing 8-cyclopentyl-6-ethyl-3-[substituted]-5,8-dihydro-4h-1,2,3a,7,8-pentaaza-as-indacenes and intermediates useful therein ADH1A, ADH1C, OTC GAA 3476/4885EPHX2 1502/4885L3MBTL1 2832/4885

“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.