SCHEMBL15599199

SCHEMBL15599199

CC(C)c1cnc(OC(C)(C)C)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
GAA P10253 1/20 0.34
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
RORC P51449 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
APEX1 P27695 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AAK1 Q2M2I8 3/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL15599173 0.81 AAK1 (0.39) PDE2APDE10AAAK1
SCHEMBL12089821 0.80 SMN1; SMN2 (0.39) RORCLMNACYP2C9TSHRAPEX1
SCHEMBL13678329 0.79 RORC (0.40) SCN9ARORCLMNACYP2C9TSHR
SCHEMBL17244894 0.78 PDE2A (0.43) PDE2APDE10AAAK1
SCHEMBL17693919 0.77 RORC (0.37) SCN9ARORCLMNACYP2C9TSHR
SCHEMBL15599223 0.77 SCN9A (0.40) SCN9AGAALMNACYP2C9TSHR
SCHEMBL15599186 0.76 HCRTR1 (0.43) SCN9AGAARORCLMNACYP2C9
SCHEMBL17244885 0.76 SCN9A (0.44) SCN9ACYP2C9CYP3A4
SCHEMBL17244906 0.76 IDH1 (0.45) SCN9ACYP2C9SMN1; SMN2AAK1CYP1A2
SCHEMBL16175217 0.75 SCN9A (0.42) SCN9AGAALMNACYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9493429-B2 Substituted benzoxazoles and methods of use thereof GENENTECH, INC. (US) 2016-11-15 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 US disclosed
US-20150322002-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-11-12 US disclosed
WO-2014008458-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-01-09 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-20150322002-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, SNRPD2, RDX SCN9A 1104/4885GAA 1865/4885PDE2A 1134/4885
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 SCN9A 1460/4885GAA 3264/4885PDE2A 386/4885
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF CYP4X1, BRIX1, HAX1 SCN9A 1798/4885GAA 2222/4885PDE2A 2600/4885

“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.