SCHEMBL10203045

SCHEMBL10203045

COC[C@H](CC(C)C)Oc1ncccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ NFE2L2 Q16236 2/20 0.36
▸ SSTR4 P31391 3/20 0.35
▸ SSTR1 P30872 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL10202983 1.00 SCN9A (0.37) SCN9ASLC22A12ADRA2AADRA2BADRA2C
SCHEMBL15677574 0.86 USP1 (0.39) SCN9ASLC22A12ADRA2AADRA2BADRA2C
SCHEMBL10263874 0.86 USP1 (0.39) SCN9ASLC22A12ADRA2AADRA2BADRA2C
SCHEMBL30503590 0.77 ALDH1A1 (0.43) SLC22A12ADRA2AADRA2BADRA2CNFE2L2
SCHEMBL23358163 0.74 SCN9A (0.43) SCN9ASLC22A12ADRA2AADRA2BADRA2C
SCHEMBL28202257 0.72 SLC22A12 (0.47) SCN9ASLC22A12NFE2L2SSTR4SSTR1
SCHEMBL30440802 0.71 SLC22A12 (0.55) SLC22A12NFE2L2ALDH1A1MAPTATM
SCHEMBL322870 0.71 SLC22A12 (0.55) SLC22A12NFE2L2ALDH1A1MAPTATM
SCHEMBL30783187 0.70 DHODH (0.42) SCN9ASLC22A12NFE2L2SSTR4SSTR1
SCHEMBL15677613 0.69 SLC22A12 (0.44) SLC22A12NFE2L2SSTR4SSTR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 — — US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 — — US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 — — US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 — — US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 — — 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 (2 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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E SCN9A 91/4885SLC22A12 1145/4885ADRA2A 364/4885
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E SCN9A 91/4885SLC22A12 1145/4885ADRA2A 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.

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