Sugi Predict

Sugi Predict / Compounds / SCHEMBL3338262

SCHEMBL3338262

SCHEMBL3338262

O=C(OC1c2ccccc2CC1NCc1cccc(-c2ccc(-c3ncc[nH]3)cc2)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ VCP P55072 5/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ ADK P55263 1/20 0.32
▸ NISCH Q9Y2I1 1/20 0.32
▸ CCR3 P51677 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PRSS1 P07477 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
SCHEMBL3342454 0.94 VCP (0.36) MRGPRX4KDM4EALDH1A1VCPSLC2A1
SCHEMBL3337459 0.81 SLC2A1 (0.37) KDM1ASLC2A1MMP1
SCHEMBL3340389 0.80 SLC2A1 (0.36) SLC2A1PRMT5MMP1
Trifluoroacetic Acid SCHEMBL3338259 0.80 SLC2A1 (0.49) MRGPRX4KDM4EALDH1A1VCPSLC2A1
SCHEMBL16195090 0.79 METAP2 (0.39) MRGPRX4SLC2A1MMP1
SCHEMBL3050325 0.79 HSD11B1 (0.33) SLC2A1MMP1
SCHEMBL1789964 0.75 NISCH (0.44) MRGPRX4KDM1AMAOASLC2A1PRMT5
Trifluoroacetic Acid SCHEMBL3342448 0.73 SLC2A1 (0.53) VCPSLC2A1PRMT5MEN1KMT2A
SCHEMBL3043808 0.72 POLB (0.33) —
SCHEMBL3048636 0.72 HSD11B1 (0.33) —

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 MRGPRX4 320/4885KDM1A 3047/4885MAOA 730/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 MRGPRX4 169/4885KDM1A 4151/4885MAOA 825/4885

“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.