SCHEMBL6602559

SCHEMBL6602559

COc1ccc2c(c1)COC(=O)N2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NOTUM Q6P988 1/20 0.42
TRIM24 O15164 1/20 0.41
SRD5A1 P18405 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
L3MBTL1 Q9Y468 1/20 0.40
SNCA P37840 2/20 0.40

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
SCHEMBL30293275 1.00 LMNA (0.49) LMNAKDM4EGAASMN1; SMN2NPC1
SCHEMBL12090660 0.79 KDM4E (0.40) KDM4EGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL30293240 0.78 EGFR (0.40) ALDH1A1MAPTRAB9ADRD2DRD1
SCHEMBL28979216 0.78 EGFR (0.40) ALDH1A1MAPTRAB9ADRD2DRD1
SCHEMBL17421175 0.78 BRD4 (0.41) LMNASMN1; SMN2MAPTHPGDALOX12
SCHEMBL9202964 0.78 CASP3 (0.47) LMNAGAAALDH1A1MAPTHPGD
SCHEMBL3831736 0.78 MAPT (0.49) LMNAKDM4EGAASMN1; SMN2NPC1
SCHEMBL3382799 0.77 SMN1; SMN2 (0.41) LMNAKDM4EGAASMN1; SMN2NPC1
SCHEMBL885383 0.76 DRD2 (0.42) LMNAMAPTDRD2DRD1DRD5
SCHEMBL578369 0.76 LMNA (0.60) LMNAGAAALDH1A1HPGDNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988093-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2023-04-07 CN 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
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 1822/4885KDM4E 257/4885GAA 2541/4885
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists NPY1R, OPRM1, OPRL1 LMNA 2094/4885KDM4E 1968/4885GAA 3656/4885

“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.