SCHEMBL3699642

SCHEMBL3699642

Fc1ccc2c(c1)C(F)(F)CCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.57
CYP17A1 P05093 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HDAC4 P56524 1/20 0.34
AKR1B1 P15121 1/20 0.34
CHRNA7 P36544 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33

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
SCHEMBL31277604 1.00 KDM1A (0.57) KDM1ACYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL14824888 0.78 SIGMAR1 (0.38) KDM1AAKR1B1
SCHEMBL20449248 0.78 BACE1 (0.48) KDM1AAKR1B1PARP1PARP10
SCHEMBL24275641 0.78 KDM1A (0.56) KDM1ASLC6A4SLC6A3
SCHEMBL12188662 0.78 KDM1A (0.56) KDM1ACYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL5722839 0.78 CYP3A4 (0.37) KDM1ACYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL6667048 0.75 KDM1A (0.50) KDM1ACYP3A4AKR1B1
SCHEMBL10157966 0.74 NPC1 (0.37) KDM1ANPC1RAB9A
SCHEMBL10199817 0.74 AKR1B1 (0.37) KDM1ACYP3A4AKR1B1
SCHEMBL19398836 0.74 KDM1A (0.36) KDM1ASLC6A4

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 18 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
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

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 KDM1A 2108/4885CYP17A1 1415/4885CYP3A4 1582/4885
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G KDM1A 2108/4885CYP17A1 1415/4885CYP3A4 1582/4885
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G KDM1A 2108/4885CYP17A1 1415/4885CYP3A4 1582/4885

“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.