SCHEMBL3701989

SCHEMBL3701989

COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CC(F)(F)c2cc(F)ccc2[C@@H]1C(C)C

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 13/20 0.89
CACNA1C Q13936 11/20 0.89
MAPT P10636 4/20 0.81
CYP3A4 P08684 4/20 0.81
CYP2D6 P10635 3/20 0.81
CACNA1B Q00975 3/20 0.81
KCNH2 Q12809 2/20 0.81
ABCB11 O95342 2/20 0.81
NPC1 O15118 1/20 0.81
CACNA1G O43497 1/20 0.81
CACNA1F O60840 1/20 0.81
TP53 P04637 1/20 0.81
CYP1A2 P05177 1/20 0.81
CHRM2 P08172 1/20 0.81
ABCB1 P08183 1/20 0.81
HTR1A P08908 1/20 0.81
ADRA2A P08913 1/20 0.81
ADORA3 P0DMS8 1/20 0.81
CHRM1 P11229 1/20 0.81
CYP2C9 P11712 1/20 0.81

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
SCHEMBL3701992 1.00 CACNA1H (0.89) CACNA1HCACNA1CMAPTCYP3A4CYP2D6
SCHEMBL3701997 1.00 CACNA1H (0.89) CACNA1HCACNA1CMAPTCYP3A4CYP2D6
SCHEMBL3700176 0.90 CACNA1H (0.81) CACNA1HCACNA1CMAPTCYP3A4CYP2D6
SCHEMBL3700172 0.90 CACNA1H (0.81) CACNA1HCACNA1CMAPTCYP3A4CYP2D6
Mibefradil SCHEMBL29359482 0.90 CACNA1H (1.00) CACNA1HCACNA1CMAPTCYP3A4CYP2D6
Mibefradil SCHEMBL2230258 0.90 CACNA1H (1.00) CACNA1HCACNA1CMAPTCYP3A4CYP2D6
Mibefradil SCHEMBL7265837 0.90 CACNA1H (1.00) CACNA1HCACNA1CMAPTCYP3A4CYP2D6
SCHEMBL3700175 0.90 CACNA1H (0.81) CACNA1HCACNA1CMAPTCYP3A4CYP2D6
Mibefradil SCHEMBL22968530 0.90 CACNA1H (1.00) CACNA1HCACNA1CMAPTCYP3A4CYP2D6
Mibefradil SCHEMBL7708100 0.90 CACNA1H (1.00) CACNA1HCACNA1CMAPTCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273009-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9273009-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9273009-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2014-06-05 US disclosed
US-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2014-06-05 US disclosed
US-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2014-06-05 US disclosed
US-8575361-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-11-05 US disclosed
US-8575361-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-11-05 US disclosed
US-8575361-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-11-05 US disclosed
WO-2013036434-A1 TETRAHYDRONAPHTHALENE DERIVATIVES AS T-TYPE CALCIUM CHANNEL BLOCKER CONCERT PHARMACEUTICALS INC. (US) 2013-03-14 WO disclosed
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-05-17 US disclosed
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-05-17 US disclosed
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-05-17 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 (2 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-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G CACNA1H 1/4885CACNA1C 8/4885MAPT 461/4885
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G CACNA1H 1/4885CACNA1C 8/4885MAPT 461/4885

“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.