SCHEMBL2548530

SCHEMBL2548530

COc1ccc(OC)c2[nH]c(CCCN(C)CC[C@@]3(O)C[C@@H]4CCC[C@H]3c3ccccc34)nc12

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 13/20 0.60
CACNA1C Q13936 12/20 0.60
CYP3A4 P08684 6/20 0.60
CYP2D6 P10635 5/20 0.60
CYP2C9 P11712 1/20 0.60
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
SMPD1 P17405 1/20 0.32

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
SCHEMBL2549624 1.00 CACNA1H (0.60) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL13815513 1.00 CACNA1H (0.60) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL14775808 0.94 CACNA1H (0.58) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL2546919 0.94 CACNA1H (0.58) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL2548169 0.94 CACNA1H (0.58) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL14775966 0.94 CACNA1H (0.58) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL2543631 0.90 CACNA1H (0.73) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL14775891 0.90 CACNA1H (0.73) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL2546599 0.90 CACNA1H (0.73) CACNA1HCACNA1CCYP3A4CYP2D6CYP2C9
SCHEMBL14775925 0.90 CACNA1H (0.73) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350021-B1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP claimed
US-8314253-B2 Bridged tetrahydronaphthalene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-11-20 US claimed
US-20110263648-A1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-27 US claimed
EP-2350021-B1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP disclosed
US-8314253-B2 Bridged tetrahydronaphthalene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-11-20 US disclosed
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.