SCHEMBL3337459

SCHEMBL3337459

O=C(OC1c2ccccc2CC1NCc1ccc(-c2cccc(-c3c[nH]cn3)c2)cc1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.37
HDAC1 Q13547 1/20 0.33
MMP1 P03956 1/20 0.33
PRKD1 Q15139 1/20 0.31
MMP9 P14780 2/20 0.31
MMP2 P08253 1/20 0.31
HTR5A P47898 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL16195090 0.86 METAP2 (0.39) SLC2A1HDAC1MMP1PRKD1
SCHEMBL3342454 0.86 VCP (0.36) SLC2A1HDAC1MMP1
SCHEMBL3050325 0.84 HSD11B1 (0.33) SLC2A1HDAC1MMP1HTR5A
SCHEMBL3340389 0.84 SLC2A1 (0.36) SLC2A1HDAC1MMP1PRKD1
SCHEMBL3338262 0.81 MRGPRX4 (0.35) SLC2A1MMP1KDM1A
Trifluoroacetic Acid SCHEMBL3337454 0.80 SLC2A1 (0.55) SLC2A1HDAC1HTR5A
SCHEMBL3048636 0.78 HSD11B1 (0.33)
SCHEMBL3050607 0.78 HSD11B1 (0.33) SLC2A1
SCHEMBL3043808 0.78 POLB (0.33)
SCHEMBL3047256 0.77 HSD11B1 (0.32) SLC2A1

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 SLC2A1 2287/4885HDAC1 1478/4885MMP1 4810/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 SLC2A1 4173/4885HDAC1 2440/4885MMP1 4759/4885

“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.