SCHEMBL13819972

SCHEMBL13819972

CC(C)(C)CCOc1ncc(Cl)cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ RXRA P19793 15/20 0.34
▸ GRIN1 Q05586 15/20 0.34
▸ GRIN2B Q13224 15/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ EDNRB P24530 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
SCHEMBL13819916 0.82 IDO1 (0.36) IDO1MCHR1RXRAGRIN1GRIN2B
SCHEMBL26704138 0.79 NUDT1 (0.38) NPC1RAB9ASMN1; SMN2HSD17B10RXRA
SCHEMBL10202978 0.77 MCHR1 (0.40) IDO1MCHR1RXRAGRIN1GRIN2B
SCHEMBL18994375 0.77 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HSD17B10RXRA
SCHEMBL13819894 0.76 ACACB (0.34) IDO1MCHR1HRH3
SCHEMBL18307628 0.76 KDM4E (0.37) IDO1MCHR1RXRAGRIN1GRIN2B
SCHEMBL13827717 0.75 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HSD17B10RXRA
SCHEMBL22968740 0.73 LTK (0.35) IDO1MCHR1
SCHEMBL19825529 0.72 CHRNB2 (0.43) NPC1RAB9ASMN1; SMN2HSD17B10RXRA
SCHEMBL24348387 0.72 POLB (0.43) NPC1RAB9ASMN1; SMN2HSD17B10RXRA

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-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 — — US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 — — US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 — — US disclosed
US-9403782-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-02 — — US disclosed
US-20150329558-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-11-19 — — US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 — — 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 (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-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 IDO1 3701/4885NPC1 1180/4885RAB9A 1191/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 IDO1 3701/4885NPC1 1180/4885RAB9A 1191/4885
US-20150329558-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 IDO1 3701/4885NPC1 1180/4885RAB9A 1191/4885

“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.

Send feedback