SCHEMBL13827643

SCHEMBL13827643

CCC(C)c1nc(-c2ncccn2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
HTT P42858 2/20 0.46
S1PR1 P21453 2/20 0.41
BMP1 P13497 1/20 0.35
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MAPK1 P28482 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GRM5 P41594 1/20 0.33
CNR2 P34972 2/20 0.33
ACACB O00763 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
S1PR3 Q99500 1/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL10237028 0.82 HTT (0.72) TSHRHTTS1PR1NPC1RAB9A
SCHEMBL17029314 0.81 HTT (0.66) TSHRHTTBMP1NPC1RAB9A
SCHEMBL9963719 0.79 S1PR1 (0.60) TSHRHTTS1PR1NPC1RAB9A
SCHEMBL18994468 0.78 HTT (0.49) TSHRHTTS1PR1BMP1NPC1
SCHEMBL13819896 0.75 HTT (0.46) TSHRHTTS1PR1BMP1NPC1
SCHEMBL14153766 0.75 HTT (0.53) TSHRHTTS1PR1NPC1RAB9A
SCHEMBL14153229 0.74 HTT (0.59) TSHRHTTS1PR1NPC1RAB9A
SCHEMBL14061705 0.73 RAB9A (0.51) HTTS1PR1NPC1RAB9ASMN1; SMN2
SCHEMBL14153246 0.73 S1PR1 (0.61) TSHRHTTS1PR1NPC1RAB9A
SCHEMBL14153146 0.73 S1PR1 (0.61) TSHRHTTS1PR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 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-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 TSHR 1832/4885HTT 891/4885S1PR1 1042/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 TSHR 1832/4885HTT 891/4885S1PR1 1042/4885

“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.