SCHEMBL6606409

SCHEMBL6606409

COc1cc2c(cc1C=O)N(C)C(=O)OC2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 7/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 5/20 0.43
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 2/20 0.38
HTT P42858 5/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
PDE4B Q07343 1/20 0.35
PRKDC P78527 1/20 0.34
IDH1 O75874 1/20 0.33
ERN1 O75460 1/20 0.33

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
SCHEMBL3955490 0.80 CYP3A4 (0.38) LMNAHPGDALDH1A1GAASMN1; SMN2
SCHEMBL26654926 0.77 CYP3A4 (0.43) LMNAALDH1A1KDM4ETSHRMAPT
SCHEMBL4156212 0.77 CYP11B1 (0.48) LMNAHPGDALDH1A1GAASMN1; SMN2
SCHEMBL3953471 0.76 CYP3A4 (0.42) LMNAALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL6604519 0.75 ALDH1A1 (0.44) LMNAHPGDALDH1A1GAASMN1; SMN2
SCHEMBL6603785 0.75 ALDH1A1 (0.47) LMNAHPGDALDH1A1GAASMN1; SMN2
SCHEMBL6619979 0.75 LMNA (0.54) LMNAHPGDALDH1A1GAASMN1; SMN2
SCHEMBL6604704 0.74 ALDH1A1 (0.49) LMNAHPGDALDH1A1GAASMN1; SMN2
SCHEMBL6074207 0.74 ALDH1A1 (0.43) LMNAHPGDALDH1A1GAASMN1; SMN2
SCHEMBL6605653 0.73 ALDH1A1 (0.45) LMNAHPGDALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175417-B1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PROD INC (US) 2004-01-07 EP disclosed
US-20030105124-A1 Substituted benzolactam compounds SOBOLOV-JAYNES SUSAN BETH (US) 2003-06-05 US disclosed
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists WAKABAYASHI HIROAKI (JP) 2002-05-02 US disclosed
EP-1175417-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS Pfizer Products Inc. (US) 2002-01-30 EP disclosed
US-6288225-B1 Substituted benzolactam compounds as substance P antagonists PFIZER INC 2001-09-11 US disclosed
EP-0840732-B1 SUBSTITUTED BENZOLACTAM COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2001-03-07 EP disclosed
US-6180647-B1 GASTROINTESTINAL DISORDERS; NERVOUS SYSTEM DISORDERS PFIZER INC. 2001-01-30 US disclosed
WO-2000068224-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PRODUCTS INC. (US) 2000-11-16 WO 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 (2 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-20030105124-A1 Substituted benzolactam compounds NPY1R, HAX1, CBR1 LMNA 1822/4885HPGD 740/4885ALDH1A1 546/4885
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists NPY1R, OPRM1, OPRL1 LMNA 2094/4885HPGD 642/4885ALDH1A1 901/4885

“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.