SCHEMBL6606966

SCHEMBL6606966

COc1ccc2c(c1)COC(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.56
PDE3A Q14432 3/20 0.56
ALDH1A1 P00352 3/20 0.49
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SRC P12931 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
SNCA P37840 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL10916705 0.82 MAPT (0.53) PDE3BPDE3AALDH1A1CYP11B1CYP11B2
SCHEMBL434348 0.78 CYP11B1 (0.51) PDE3BPDE3AALDH1A1CYP11B1CYP11B2
SCHEMBL10917444 0.77 PDE3B (0.56) PDE3BPDE3ACYP11B1CYP11B2MAOA
SCHEMBL3378094 0.77 ALDH1A1 (0.51) PDE3BPDE3AALDH1A1CYP11B1CYP11B2
SCHEMBL10921282 0.76 PDE3B (0.58) PDE3BPDE3ACYP11B1CYP11B2MAOA
SCHEMBL14815941 0.75 PDE3B (0.54) PDE3BPDE3AALDH1A1GAAKDM4E
SCHEMBL10918945 0.75 PDE3B (0.59) PDE3BPDE3AALDH1A1CYP11B1CYP11B2
SCHEMBL10916724 0.75 CYP11B1 (0.51) PDE3BPDE3AALDH1A1CYP11B1CYP11B2
SCHEMBL13692913 0.75 CYP11B1 (0.51) PDE3BPDE3ACYP11B1CYP11B2MAPT
SCHEMBL787497 0.75 CYP11B1 (0.51) PDE3BPDE3ACYP11B1CYP11B2TDP1

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
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
EP-0093922-B1 BENZOXAZIN-2-ONES, THEIR PREPARATION AND THERAPEUTIC AGENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1986-12-30 EP disclosed
US-4518597-A THROMBOSIS, ARTERIOSCLEROSIS, ANTITUMOR, ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1985-05-21 US disclosed
EP-0093922-A2 Benzoxazin-2-ones, their preparation and therapeutic agents containing these compounds Dr. Karl Thomae GmbH (DE) 1983-11-16 EP 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 PDE3B 2199/4885PDE3A 2625/4885ALDH1A1 546/4885
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists NPY1R, OPRM1, OPRL1 PDE3B 486/4885PDE3A 529/4885ALDH1A1 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.