SCHEMBL2548065

SCHEMBL2548065

COCC(=O)O[C@@]1(CCN(C)CCCc2nc3ccccc3[nH]2)C[C@H]2CCC[C@@H]1c1ccccc12

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 15/20 0.91
CACNA1C Q13936 14/20 0.91
CYP3A4 P08684 3/20 0.66
CYP2D6 P10635 3/20 0.66
CYP2C9 P11712 2/20 0.66
KCNH2 Q12809 2/20 0.59
ABCB11 O95342 2/20 0.59
MAPT P10636 2/20 0.59
NPC1 O15118 1/20 0.59
CACNA1G O43497 1/20 0.59
CACNA1F O60840 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CHRM2 P08172 1/20 0.59
ABCB1 P08183 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59
ALOX15 P16050 1/20 0.59

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
SCHEMBL2543465 0.95 CACNA1H (1.00) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL2549660 0.95 CACNA1H (0.98) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL2548193 0.89 CACNA1H (1.00) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL2548410 0.85 CACNA1H (1.00) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL2549201 0.84 CACNA1H (1.00) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL2550515 0.84 CACNA1H (1.00) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL2549202 0.84 CACNA1H (1.00) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL2546630 0.84 CACNA1H (1.00) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL2548684 0.84 CACNA1H (1.00) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL2543157 0.84 CACNA1H (1.00) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263648-A1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-27 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-20110263648-A1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1E, CACNA1B, CACNB1 CACNA1H 5/4885CACNA1C 13/4885CYP3A4 524/4885

“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.