SCHEMBL7120636

SCHEMBL7120636

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.61
▸ SLC6A4 P31645 3/20 0.59
▸ TP53 P04637 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ ACACB O00763 4/20 0.50
▸ GRIA4 P48058 1/20 0.41
▸ EBP Q15125 1/20 0.40

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
SCHEMBL9816894 0.84 SIGMAR1 (0.67) SIGMAR1SLC6A4TP53TSHRLMNA
SCHEMBL10555368 0.84 SIGMAR1 (0.67) SIGMAR1SLC6A4TP53TSHRLMNA
Hydrochloric Acid SCHEMBL10562806 0.82 SIGMAR1 (0.65) SIGMAR1SLC6A4TP53TSHRLMNA
SCHEMBL23986713 0.81 TAAR1 (0.59) SIGMAR1SLC6A4TP53TSHRACACB
SCHEMBL25530544 0.79 CYP1A2 (0.61) SIGMAR1SLC6A4TP53TSHRACACB
SCHEMBL25530939 0.79 TP53 (0.53) SIGMAR1SLC6A4TP53TSHRADRA1A
SCHEMBL19012043 0.79 SIGMAR1 (0.68) SIGMAR1SLC6A4TSHRLMNAMAPT
SCHEMBL4680337 0.77 SIGMAR1 (0.66) SIGMAR1SLC6A4TSHRLMNAMAPT
SCHEMBL22249109 0.77 SIGMAR1 (0.66) SIGMAR1SLC6A4TSHRLMNAMAPT
SCHEMBL8441968 0.77 SIGMAR1 (0.66) SIGMAR1SLC6A4TSHRHTR2AADRA1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1178922-C Substituted 1-aminoalkyllactam compounds and their use as muscarinic receptor antagonists - 2004-12-08 — — CN 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 (1 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-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SIGMAR1 32/4885SLC6A4 880/4885TP53 2540/4885

“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.

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