SCHEMBL6619979

SCHEMBL6619979

COc1cc2c(cc1C=O)N(C)C(=O)CO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 6/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.43
HTR1A P08908 2/20 0.43
HTR2C P28335 1/20 0.43
CYP11B2 P19099 2/20 0.39
CYP11B1 P15538 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
CYP19A1 P11511 1/20 0.36
NQO2 P16083 1/20 0.36

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
SCHEMBL30954116 0.82 HTR1A (0.46) ALDH1A1GAAKDM4ETSHRHTR1A
SCHEMBL13849355 0.82 HTR1A (0.46) ALDH1A1GAAKDM4ETSHRHTR1A
SCHEMBL30954100 0.80 HTR1A (0.45) GAAKDM4EHTR1AHTR2CCYP11B2
SCHEMBL27432475 0.80 HTR1A (0.45) ALDH1A1GAAKDM4ETSHRMAPT
SCHEMBL4103368 0.80 HTR1A (0.45) GAAKDM4EHTR1AHTR2CCYP11B2
SCHEMBL24824323 0.80 CYP11B2 (0.40) LMNAHPGDHTR1AHTR2CCYP11B2
SCHEMBL27433237 0.80 HTR1A (0.45) GAAKDM4EHTR1AHTR2CCYP11B2
SCHEMBL30659587 0.77 HTR1A (0.45) KDM4ETSHRMAPTHTR1AHTR2C
SCHEMBL26654576 0.77 HTR1A (0.45) KDM4ETSHRMAPTHTR1AHTR2C
SCHEMBL4094748 0.76 TDP1 (0.42) LMNAALDH1A1SMN1; SMN2TDP1MAPT

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 10 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
EP-0840732-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1998-05-13 EP disclosed
WO-1997003066-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1997-01-30 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.