SCHEMBL4870366

SCHEMBL4870366

CCCN(CCCCN1CCNCCC1=O)C(C)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.42
SLC6A2 P23975 2/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR2B P41595 3/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
POLB P06746 1/20 0.37
DRD3 P35462 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.35
PTGER4 P35408 3/20 0.35
PTGER3 P43115 3/20 0.35
PTGER2 P43116 2/20 0.35
TRPV4 Q9HBA0 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL4875623 0.89 HTR2A (0.39) SLC6A4LMNASMN1; SMN2HTR2BHTR2A
SCHEMBL4876949 0.84 HTR2A (0.38) SLC6A4SLC6A2LMNASMN1; SMN2HTR2B
SCHEMBL4868912 0.83 MEN1 (0.33) KMT2A
SCHEMBL4870305 0.81 HTR2A (0.39) SLC6A4LMNAHTR2BHTR2AHTR2C
SCHEMBL4873705 0.81 RAB9A (0.31) OPRK1
SCHEMBL6171443 0.80 CYP2D6 (0.36) SLC6A4SLC6A2LMNASMN1; SMN2
SCHEMBL4870262 0.80 CYP2D6 (0.36) SLC6A4SLC6A2LMNASMN1; SMN2
SCHEMBL4872452 0.79 CYP3A4 (0.39) SLC6A4SLC6A2LMNASMN1; SMN2HTR2A
SCHEMBL4870376 0.79 SLC6A4 (0.41) SLC6A4SLC6A2LMNASMN1; SMN2HTR2B
SCHEMBL14194497 0.79 SIRT2 (0.33) LMNASMN1; SMN2HTR2AHTR2CDRD3

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 SLC6A4 990/4885SLC6A2 707/4885LMNA 3315/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SLC6A4 880/4885SLC6A2 804/4885LMNA 3391/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SLC6A4 880/4885SLC6A2 804/4885LMNA 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.