SCHEMBL4863336

SCHEMBL4863336

CCCN(CCCCN1CCOCCC1=O)C(C)Cc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.42
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
BTK Q06187 4/20 0.39
PARP1 P09874 1/20 0.39
EPHX2 P34913 1/20 0.38
ACKR3 P25106 1/20 0.38
PPARA Q07869 4/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
PPARG P37231 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
PPARD Q03181 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37

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
SCHEMBL4866709 0.90 PARP1 (0.43) NR1H4MAPTPARP1ACKR3PPARA
SCHEMBL4863354 0.82 NR1H4 (0.42) NR1H4MAPTLMNABTKPARP1
Hydrochloric Acid SCHEMBL4682704 0.78 NR1H4 (0.42) NR1H4MAPTLMNABTKACKR3
SCHEMBL4863351 0.78 NR1H4 (0.40) NR1H4MAPTPARP1ACKR3PPARA
Hydrochloric Acid SCHEMBL4683653 0.77 NR1H4 (0.41) NR1H4MAPTLMNABTKACKR3
SCHEMBL7091823 0.76 PTGES (0.45) MAPTLMNAPARP1ACKR3PPARA
SCHEMBL4874205 0.76 ACKR3 (0.42) NR1H4MAPTLMNAPARP1EPHX2
SCHEMBL4866652 0.74 MEN1 (0.41) LMNASMN1; SMN2NPC1TP53RAB9A
SCHEMBL4876175 0.74 ACKR3 (0.43) MAPTLMNAACKR3SMN1; SMN2NPC1
SCHEMBL4683579 0.73 NR1H4 (0.45) NR1H4MAPTPARP1ACKR3PPARA

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-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-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists DVORAK CHARLES ALOIS (US) 2004-05-06 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-20020004501-A1 Heterocyclylalkylamines 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-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM3 NR1H4 108/4885MAPT 4142/4885LMNA 3315/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 NR1H4 104/4885MAPT 4292/4885LMNA 3391/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 NR1H4 104/4885MAPT 4292/4885LMNA 3391/4885

“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.