SCHEMBL4875126

SCHEMBL4875126

CCC(NCCN1CCCCC1=O)C(C)Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
WDR91 A4D1P6 1/20 0.37
USP2 O75604 1/20 0.37
RECQL P46063 1/20 0.37
P2RX3 P56373 1/20 0.37
KMT2A Q03164 3/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL4875549 0.93 RAB9A (0.41) DPP7HRH3RAB9AALDH1A1HSP90AA1
SCHEMBL4864771 0.87 L3MBTL1 (0.40) HRH3RAB9AL3MBTL1LMNAADAMTS5
SCHEMBL4870303 0.83 RAB9A (0.40) RAB9AL3MBTL1LMNAUSP2RECQL
SCHEMBL4865436 0.82 RAB9A (0.41) HRH3RAB9AALDH1A1L3MBTL1LMNA
SCHEMBL4866775 0.81 KMT2A (0.49) RAB9ALMNAUSP2RECQLKMT2A
SCHEMBL4874186 0.81 RAB9A (0.40) RAB9AKMT2A
SCHEMBL4875389 0.81 MTNR1A (0.44) ALDH1A1RECQLKMT2A
SCHEMBL4866656 0.80 NPC1 (0.40) RAB9ALMNAKMT2A
SCHEMBL4866682 0.79 LMNA (0.46) ALDH1A1TSHRL3MBTL1LMNAACHE
SCHEMBL4871587 0.76 RAB9A (0.44) RAB9AALDH1A1LMNAKMT2A

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 DPP7 1567/4885HRH3 77/4885RAB9A 3218/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 DPP7 1549/4885HRH3 66/4885RAB9A 2725/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 DPP7 1549/4885HRH3 66/4885RAB9A 2725/4885

“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.