SCHEMBL6884068

SCHEMBL6884068

COC1=CC(=O)c2cc(F)ccc2C1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.36
GAPDH P04406 1/20 0.33
PTPN1 P18031 1/20 0.33
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.31
NSD2 O96028 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CREBBP Q92793 1/20 0.31
IDO1 P14902 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
HSD11B1 P28845 1/20 0.31
KCNH2 Q12809 1/20 0.31
CCNE2 O96020 1/20 0.31

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
SCHEMBL25508926 0.74 ACHE (0.35) MAOBACHE
SCHEMBL6884067 0.70 KCNH2 (0.34) MAOBMEN1KMT2AKCNH2
SCHEMBL6885791 0.69 HTR2A (0.34) MAOB
SCHEMBL9627918 0.66 IDO1 (0.61) GAPDHPTPN1MEN1NSD2KMT2A
SCHEMBL15026430 0.63 IDO1 (0.61) GAPDHPTPN1MEN1NSD2KMT2A
SCHEMBL23836093 0.62 MAOB (0.53) MAOBMEN1KMT2AIDO1
SCHEMBL20371515 0.62 MAOB (0.53) MAOBMEN1KMT2AIDO1
SCHEMBL9642237 0.61 MAPT (0.59) PTPN1MEN1KMT2AL3MBTL1CDC25A
SCHEMBL6885233 0.61 SRD5A1 (0.46) MAOBACHE
SCHEMBL8355719 0.61 SRD5A1 (0.46) MAOBACHE

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 15 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-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-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-8513434-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-08-20 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-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
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 MAOB 1249/4885GAPDH 3796/4885PTPN1 1761/4885
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G MAOB 1249/4885GAPDH 3796/4885PTPN1 1761/4885
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G MAOB 1249/4885GAPDH 3796/4885PTPN1 1761/4885

“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.