SCHEMBL6884067

SCHEMBL6884067

COC1=CCc2cc(F)ccc2C1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.34
HTR2A P28223 4/20 0.32
HTR2C P28335 4/20 0.32
SRD5A1 P18405 3/20 0.32
MAOB P27338 3/20 0.32
TMEM97 Q5BJF2 3/20 0.32
SIGMAR1 Q99720 3/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
TACR1 P25103 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30

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
SCHEMBL10444032 0.74 SRD5A1 (0.44) KCNH2HTR2AHTR2CSRD5A1TMEM97
SCHEMBL6885791 0.70 HTR2A (0.34) HTR2AHTR2CMAOB
SCHEMBL6884068 0.70 MAOB (0.36) KCNH2MAOBMEN1KMT2A
SCHEMBL8707542 0.68 SRD5A1 (0.40) KCNH2HTR2AHTR2CSRD5A1SLC6A2
SCHEMBL8356066 0.68 SRD5A1 (0.46) HTR2AHTR2CSRD5A1MAOBSLC6A2
SCHEMBL6885233 0.68 SRD5A1 (0.46) HTR2AHTR2CSRD5A1MAOBSLC6A2
SCHEMBL8355719 0.68 SRD5A1 (0.46) HTR2AHTR2CSRD5A1MAOBSLC6A2
SCHEMBL2381148 0.67 SRD5A1 (0.39) SRD5A1MAOBSLC6A2SLC6A4SLC6A3
SCHEMBL22508495 0.66 AURKA (0.38) SRD5A1MAOBSLC6A2SLC6A4SLC6A3
SCHEMBL22508496 0.66 AURKA (0.38) SRD5A1MAOBSLC6A2SLC6A4SLC6A3

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
EP-3144296-A1 DEUTERATED TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2017-03-22 EP 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-8575361-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-11-05 US disclosed
US-8513434-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-08-20 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-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2011-09-29 US disclosed
WO-2011109464-A1 DEUTERATED TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2011-09-09 WO 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-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G KCNH2 38/4885HTR2A 270/4885HTR2C 364/4885
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G KCNH2 38/4885HTR2A 270/4885HTR2C 364/4885
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G KCNH2 38/4885HTR2A 270/4885HTR2C 364/4885

“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.