SCHEMBL4874286

SCHEMBL4874286

O=CCCCN1CCCCCOC1=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.42
KDM4E B2RXH2 1/20 0.34
GRM2 Q14416 2/20 0.33
PER2 O15055 1/20 0.30
CRY2 Q49AN0 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
SCHEMBL4870336 0.93 PIK3CD (0.49) PIK3CDKDM4EGRM2PER2CRY2
SCHEMBL8391424 0.87 PIK3CD (0.46) PIK3CDKDM4EGRM2PER2CRY2
SCHEMBL10337440 0.80 KDM4E (0.42) PIK3CDKDM4EGRM2PER2CRY2
SCHEMBL8157458 0.78 PIK3CD (0.41) PIK3CDKDM4E
SCHEMBL10337812 0.76 KDM4E (0.39) PIK3CDKDM4E
SCHEMBL29954446 0.75 KDM4E (0.46) PIK3CDKDM4EGRM2PER2CRY2
SCHEMBL8158607 0.75 MGLL (0.43) PIK3CD
SCHEMBL4870239 0.75 L3MBTL1 (0.44) PIK3CD
SCHEMBL8156906 0.73 PIK3CD (0.45) PIK3CDKDM4EGRM2PER2CRY2
SCHEMBL20733171 0.73 PIK3CD (0.51) PIK3CDKDM4EGRM2PER2CRY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361648-B2 Heterocyclylakylamines as muscarinic receptor antagonists ROCHE PALO ALTO LLC (US) 2008-04-22 US disclosed
US-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists ROCHE PALO ALTO LLC 2006-12-21 US disclosed
US-7094778-B2 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-08-22 US disclosed
EP-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed
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-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists DVORAK CHARLES ALOIS (US) 2004-05-06 US disclosed
US-20040034018-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists WEIKERT ROBERT JAMES (US) 2004-02-19 US disclosed
US-6667301-B2 Therapy for muscular disorders, urogenital disorders, gastrointestinal disorders, respiratory system disorders SYNTEX (U.S.A.) LLC 2003-12-23 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-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 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 (6 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 PIK3CD 3912/4885KDM4E 1744/4885GRM2 109/4885
US-20030109524-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM4 PIK3CD 3912/4885KDM4E 1744/4885GRM2 109/4885
US-20040034018-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM4 PIK3CD 3912/4885KDM4E 1744/4885GRM2 109/4885
US-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM3 PIK3CD 3258/4885KDM4E 2261/4885GRM2 198/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 PIK3CD 3151/4885KDM4E 2601/4885GRM2 168/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 PIK3CD 3151/4885KDM4E 2601/4885GRM2 168/4885

“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.