SCHEMBL6597873

SCHEMBL6597873

O=CCCCN1CCOCC(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PAOX Q6QHF9 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
GAA P10253 1/20 0.30
DAO P14920 1/20 0.30
CYP1A2 P05177 1/20 0.30
HTR7 P34969 1/20 0.30
RAB9A P51151 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL1446165 0.79 KEAP1 (0.54) KEAP1SMN1; SMN2POLBSIGMAR1CYP2C19
SCHEMBL7291045 0.73 KEAP1 (0.52) KEAP1SMN1; SMN2POLBSIGMAR1CYP2C19
SCHEMBL7294030 0.72 KEAP1 (0.50) KEAP1SMN1; SMN2POLBSIGMAR1PAOX
SCHEMBL6764986 0.72 KEAP1 (0.50) KEAP1SMN1; SMN2POLBSIGMAR1PAOX
SCHEMBL7283905 0.72 KEAP1 (0.50) KEAP1SMN1; SMN2POLBSIGMAR1PAOX
SCHEMBL5530665 0.72 KEAP1 (0.50) KEAP1SMN1; SMN2POLBSIGMAR1PAOX
SCHEMBL7381439 0.72 KEAP1 (0.50) KEAP1SMN1; SMN2POLBSIGMAR1PAOX
SCHEMBL7291054 0.72 KEAP1 (0.50) KEAP1SMN1; SMN2POLBSIGMAR1PAOX
SCHEMBL19852069 0.72 KDM4E (0.36) SMN1; SMN2POLBUSP2ALOX15KMT2A
SCHEMBL6593739 0.71 CA1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818645-B2 2-AMINO-TRIHYDROINDOLE OR TETRAHYDRONAPTHALENE-2-YL DERIVATIVES, USEFUL FOR DISEASE STATE ASSOCIATED WITH SMOOTH MUSCLE DISORDERS, SUCH AS GASTROINTESTINAL AND UROGENITAL DISORDERS SYNTEX (U.S.A.) LLC 2004-11-16 US disclosed
EP-1289964-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-10-20 EP disclosed
US-20040034018-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists WEIKERT ROBERT JAMES (US) 2004-02-19 US disclosed
US-6645958-B2 Oxazepine derivatives; urogenital, gastrointestinal, and respiratory system disorders; antiasthmatic and antiallergen agents SYNTEX (U.S.A.) LLC 2003-11-11 US disclosed
US-20030109524-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists WEIKERT ROBERT JAMES (US) 2003-06-12 US disclosed
US-6500822-B2 MUSCULAR DISORDERS, GASTROINTESTINAL DISORDERS, RESPIRATORY SYSTEM DISORDERS SYNTEX (U.S.A.) LLC 2002-12-31 US disclosed
US-20020004494-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 US 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 (3 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-20020004494-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM4 KEAP1 3093/4885SMN1; SMN2 3135/4885POLB 4474/4885
US-20030109524-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM4 KEAP1 3093/4885SMN1; SMN2 3135/4885POLB 4474/4885
US-20040034018-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM4 KEAP1 3093/4885SMN1; SMN2 3135/4885POLB 4474/4885

“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.