SCHEMBL6606796

SCHEMBL6606796

COc1cc2c(cc1C=O)N(OC)C(=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDE4D Q08499 1/20 0.36
PRKDC P78527 1/20 0.35
S1PR2 O95136 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL4156212 0.84 CYP11B1 (0.48) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL6605305 0.82 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL6074083 0.81 ATAD2 (0.48) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL6074362 0.80 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL6606624 0.80 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL6605512 0.78 CYP11B1 (0.51) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL6604393 0.77 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL6603785 0.76 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL6605653 0.74 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL7008896 0.71 ATAD2 (0.39) ALDH1A1KDM4ETSHRTDP1MAPT

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 11 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
CN-1349527-A Substituted benzolactam compounds PFIZER PROD INC (US) 2002-05-15 CN 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 ALDH1A1 546/4885KDM4E 257/4885TSHR 1889/4885
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists NPY1R, OPRM1, OPRL1 ALDH1A1 901/4885KDM4E 1968/4885TSHR 1520/4885

“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.