SCHEMBL3341667

SCHEMBL3341667

O=C(Nc1ccc(-c2csc(CNCCc3cccc(F)c3)c2)cc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
ROCK2 O75116 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NAMPT P43490 1/20 0.38
MPO P05164 1/20 0.37
HTR5A P47898 1/20 0.37
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL1787306 0.85 CNR1 (0.47) CNR1ROCK2MEN1KMT2ANPC1
SCHEMBL3339991 0.83 MEN1 (0.44) MEN1KMT2ANPC1TP53RAB9A
Trifluoroacetic Acid SCHEMBL3341662 0.83 OPRM1 (0.43) ROCK2MEN1KMT2AKDM4EHTR5A
SCHEMBL16203744 0.83 NR4A2 (0.44) CNR1MEN1KMT2AKDM4EMPO
SCHEMBL12607764 0.82 OPRM1 (0.47) CNR1ROCK2MEN1KMT2AKDM4E
SCHEMBL1790026 0.78 OPRM1 (0.44) ROCK2MEN1KMT2AKDM4EMPO
SCHEMBL12651459 0.72 KDM4E (0.51) KDM4EMPO
SCHEMBL3342513 0.69 MEN1 (0.44) MEN1KMT2ANPC1TP53RAB9A
Trifluoroacetic Acid SCHEMBL1787305 0.68 OPRM1 (0.44) MEN1KMT2AKDM4E
SCHEMBL4921613 0.66 CNR1 (0.73) CNR1MEN1KMT2ANAMPTEPHX2

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-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 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-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 CNR1 43/4885ROCK2 3629/4885MEN1 4375/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 CNR1 22/4885ROCK2 2925/4885MEN1 4865/4885

“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.