SCHEMBL3701352

SCHEMBL3701352

CC(C)C1C(=O)CC(F)(F)c2cc(F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
AKR1B1 P15121 3/20 0.36
MAOB P27338 1/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
CYP2C9 P11712 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
ACHE P22303 1/20 0.33
SRD5A1 P18405 3/20 0.33
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
MC4R P32245 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
SCHEMBL3697223 1.00 ALDH1A1 (0.42) ALDH1A1AKR1B1MAOBKMT2AMAPT
SCHEMBL6885233 0.72 SRD5A1 (0.46) ALDH1A1MAOBACHESRD5A1OPRM1
SCHEMBL8355719 0.72 SRD5A1 (0.46) ALDH1A1MAOBACHESRD5A1OPRM1
SCHEMBL8356066 0.72 SRD5A1 (0.46) ALDH1A1MAOBACHESRD5A1OPRM1
SCHEMBL2381148 0.71 SRD5A1 (0.39) ALDH1A1MAOBACHESRD5A1OPRM1
SCHEMBL6885791 0.71 HTR2A (0.34) MAOB
SCHEMBL23836093 0.67 MAOB (0.53) ALDH1A1MAOBKMT2AMAPTMEN1
SCHEMBL20371515 0.67 MAOB (0.53) ALDH1A1MAOBKMT2AMAPTMEN1
SCHEMBL3701023 0.66 AKR1B1 (0.49) AKR1B1
SCHEMBL3701025 0.66 AKR1B1 (0.49) AKR1B1

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 20 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-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
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
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
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 ALDH1A1 1369/4885AKR1B1 443/4885MAOB 1249/4885
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G ALDH1A1 1369/4885AKR1B1 443/4885MAOB 1249/4885
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G ALDH1A1 1369/4885AKR1B1 443/4885MAOB 1249/4885

“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.