SCHEMBL13819907

SCHEMBL13819907

CC(C)(C)Cc1cccnc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.44
OPRL1 P41146 12/20 0.42
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX7 Q99572 1/20 0.34
GRM4 Q14833 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
NMT1 P30419 1/20 0.32
OPRM1 P35372 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
SCHEMBL17029329 0.80 OPRL1 (0.41) OPRL1NMT1
SCHEMBL13827596 0.77 GRM5 (0.41) OPRL1NMT1
SCHEMBL19318462 0.77 DPP4 (0.41) OPRL1OPRM1
SCHEMBL20818441 0.77 KDM4E (0.41) OPRL1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL20817897 0.77 OPRL1 (0.40) OPRL1P2RX7GRM4OPRM1
SCHEMBL22493345 0.76 OPRL1 (0.43) OPRL1P2RX7GRM4NMT1OPRM1
SCHEMBL21662742 0.76 OPRL1 (0.42) OPRL1P2RX7GRM4NMT1
SCHEMBL18994458 0.76 OPRL1 (0.32) OPRL1
SCHEMBL11865375 0.75 NMT1 (0.37) OPRL1P2RX7NMT1
Hydrochloric Acid SCHEMBL4795570 0.75 DPP4 (0.40) OPRL1OPRM1

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-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-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 (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 RIPK1 2773/4885OPRL1 391/4885NPC1 1180/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 RIPK1 2773/4885OPRL1 391/4885NPC1 1180/4885

“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.