SCHEMBL4871587

SCHEMBL4871587

CCC(NCCCCN1CCCCC1=O)C(C)Cc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SLC6A3 Q01959 2/20 0.38
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
SOAT2 O75908 1/20 0.38
SOAT1 P35610 1/20 0.38
ADRA1B P35368 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 1/20 0.37
ADRA1A P35348 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4870303 0.90 RAB9A (0.40) RAB9ASOAT2SOAT1KMT2AMEN1
SCHEMBL4875631 0.88 SIGMAR1 (0.42) RAB9ASLC6A3SLC6A4SOAT2SOAT1
SCHEMBL4866775 0.86 KMT2A (0.49) RAB9AADRA1BKMT2AMEN1LMNA
SCHEMBL4875549 0.83 RAB9A (0.41) RAB9ANPC1SOAT2SOAT1KMT2A
SCHEMBL4874186 0.82 RAB9A (0.40) RAB9ASLC6A4SOAT2SOAT1KMT2A
SCHEMBL4866751 0.82 HPGD (0.41) RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4866656 0.82 NPC1 (0.40) RAB9ANPC1SOAT2SOAT1KMT2A
SCHEMBL4876233 0.81 RAB9A (0.38) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4875878 0.79 RAB9A (0.36) RAB9ANPC1SOAT2SOAT1KMT2A
SCHEMBL4866682 0.79 LMNA (0.46) SOAT2SOAT1LMNAALDH1A1

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 RAB9A 3218/4885NPC1 1987/4885SLC6A3 562/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 RAB9A 2725/4885NPC1 1483/4885SLC6A3 640/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 RAB9A 2725/4885NPC1 1483/4885SLC6A3 640/4885

“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.