SCHEMBL6606952

SCHEMBL6606952

COc1ccc2c(c1)CCC(=O)N2OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.51
NOTUM Q6P988 1/20 0.50
TRIM24 O15164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
POLB P06746 1/20 0.45
BCL2 P10415 1/20 0.44
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ACLY P53396 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL6073478 0.82 TRIM24 (0.64) SRD5A1NOTUMTRIM24HSD17B10CYP1A2
SCHEMBL29199450 0.79 ALDH1A1 (0.50) CYP1A2CYP11B1CYP11B2DRD2DRD3
SCHEMBL6608548 0.78 SRD5A1 (0.49) SRD5A1NOTUMTRIM24HSD17B10CYP1A2
SCHEMBL6074064 0.78 SRD5A1 (0.49) SRD5A1NOTUMTRIM24HSD17B10CYP1A2
SCHEMBL30866418 0.76 POLB (0.47) SRD5A1NOTUMPOLBKMT2AMEN1
SCHEMBL30871960 0.75 L3MBTL1 (0.45) HSD17B10CYP1A2TP53LMNAKMT2A
SCHEMBL29173745 0.75 CMA1 (0.54) POLBKMT2AMEN1
SCHEMBL6605904 0.74 SRD5A1 (0.45) SRD5A1NOTUMTRIM24HSD17B10CYP1A2
SCHEMBL12059735 0.73 LMNA (0.56) SRD5A1NOTUMTRIM24HSD17B10CYP1A2
SCHEMBL11768561 0.73 LMNA (0.48) SRD5A1HSD17B10CYP11B1CYP11B2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015131100-A1 LIGAND-CONTROLLED C(SP3)-H ARYLATION AND OLEFINATION IN SYNTHESIS OF UNNATURAL CHIRAL ALPHA AMINO ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-09-03 WO disclosed
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 SRD5A1 950/4885NOTUM 3521/4885TRIM24 4440/4885
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists NPY1R, OPRM1, OPRL1 SRD5A1 1720/4885NOTUM 4235/4885TRIM24 4714/4885

“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.