SCHEMBL6606022

SCHEMBL6606022

COc1ccc2c(c1)CSC(=O)N2C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HSD17B3 P37058 1/20 0.45
TRIM24 O15164 1/20 0.44
RYR2 Q92736 2/20 0.43
NOTUM Q6P988 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
SRD5A1 P18405 1/20 0.42
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SNCA P37840 2/20 0.41
METAP1 P53582 2/20 0.41
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL578369 0.77 LMNA (0.60) LMNATRIM24NOTUMDRD2DRD1
SCHEMBL6074340 0.76 LMNA (0.49) LMNATRIM24NOTUMPDE3BPDE3A
SCHEMBL38662728 0.75 DRD1 (0.58) LMNARYR2NOTUMDRD2DRD1
SCHEMBL6073478 0.75 TRIM24 (0.64) LMNATRIM24NOTUMSRD5A1DRD2
SCHEMBL6602559 0.73 LMNA (0.49) LMNATRIM24RYR2NOTUMSRD5A1
SCHEMBL30293275 0.73 LMNA (0.49) LMNATRIM24RYR2NOTUMSRD5A1
SCHEMBL12059735 0.73 LMNA (0.56) LMNATRIM24NOTUMSRD5A1DRD2
SCHEMBL6618443 0.73 LMNA (1.00) LMNAMAOAMAOBHSD17B3PDE3B
SCHEMBL12269612 0.72 ACHE (0.44) MAOAHSD17B3NOTUMDRD2DRD1
SCHEMBL6606073 0.71 PDE3B (0.56) LMNAMAOAMAOBRYR2PDE3B

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 1822/4885MAOA 1034/4885MAOB 879/4885
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists NPY1R, OPRM1, OPRL1 LMNA 2094/4885MAOA 712/4885MAOB 426/4885

“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.