SCHEMBL4875435

SCHEMBL4875435

C[C@H](N)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
TAAR1 Q96RJ0 5/20 0.57
SLC6A2 P23975 5/20 0.57
SLC6A3 Q01959 3/20 0.57
MAOA P21397 2/20 0.56
SIGMAR1 Q99720 1/20 0.56
CYP2A6 P11509 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56

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
SCHEMBL14478293 1.00 SLC6A4 (0.58) SLC6A4TP53TSHRTAAR1SLC6A2
SCHEMBL9292319 1.00 SLC6A4 (0.58) SLC6A4TP53TSHRTAAR1SLC6A2
SCHEMBL10872752 0.83 TAAR1 (0.76) SLC6A4TAAR1SLC6A2SLC6A3MAOA
SCHEMBL17504541 0.83 TP53 (0.55) SLC6A4TP53TSHRTAAR1SIGMAR1
SCHEMBL8671989 0.83 SLC6A4 (0.55) SLC6A4TAAR1SLC6A2SLC6A3MAOA
SCHEMBL10872755 0.83 TAAR1 (0.76) SLC6A4TAAR1SLC6A2SLC6A3MAOA
SCHEMBL547420 0.82 TSHR (0.62) TP53TSHRSIGMAR1
SCHEMBL23986815 0.82 TP53 (0.53) SLC6A4TP53TSHRSIGMAR1
SCHEMBL3813110 0.81 HTR2A (0.65) SLC6A4TAAR1SLC6A2SLC6A3MAOA
SCHEMBL265675 0.81 HTR2A (0.65) SLC6A4TAAR1SLC6A2SLC6A3MAOA

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 9 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
CN-1178922-C Substituted 1-aminoalkyllactam compounds and their use as muscarinic receptor antagonists - 2004-12-08 CN 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
CN-1430610-A Substituted 1-aminoalkyllactam compounds and their use as muscarinic receptor antagonists HOFFMANN LA ROCHE (CH) 2003-07-16 CN 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 990/4885TP53 2501/4885TSHR 146/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SLC6A4 880/4885TP53 2540/4885TSHR 120/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SLC6A4 880/4885TP53 2540/4885TSHR 120/4885

“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.