Sugi Predict

Sugi Predict / Compounds / SCHEMBL744812

SCHEMBL744812

SCHEMBL744812

OCc1ccccc1C1(O)CCC2(CC1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 13/20 0.50
▸ OPRM1 P35372 12/20 0.50
▸ OPRD1 P41143 12/20 0.50
▸ OPRK1 P41145 12/20 0.50
▸ PDE10A Q9Y233 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL30408176 1.00 OPRL1 (0.50) OPRL1OPRM1OPRD1OPRK1PDE10A
SCHEMBL6357942 0.88 OPRL1 (0.39) OPRL1OPRM1OPRD1OPRK1PDE10A
SCHEMBL11251967 0.83 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1PDE10A
SCHEMBL7081194 0.81 TXNRD1 (0.38) OPRM1OPRD1OPRK1PDE10AHSD17B10
SCHEMBL24203842 0.79 MAP3K14 (0.39) PDK2HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL30574131 0.79 NPC1 (0.38) OPRL1OPRM1OPRD1OPRK1NPC1
SCHEMBL6351977 0.78 PDE10A (0.35) OPRL1OPRM1OPRD1OPRK1PDE10A
SCHEMBL28444682 0.78 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1PDK2
SCHEMBL30447423 0.77 HSD17B10 (0.34) OPRL1OPRM1OPRD1OPRK1HSD17B10
SCHEMBL24203798 0.77 HSD17B10 (0.34) OPRL1OPRM1OPRD1OPRK1HSD17B10

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640094-A Compounds as PRMT1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-08-25 — — CN disclosed
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 — — US disclosed
WO-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 — — WO disclosed
WO-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 — — WO disclosed
US-11203592-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-12-21 — — US disclosed
US-11203592-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-12-21 — — US disclosed
US-20210221806-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-07-22 — — US disclosed
US-20210221806-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-07-22 — — US disclosed
WO-2019074824-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-18 — — WO disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 — — US disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 — — US disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 — — US disclosed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 — — EP disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 — — US disclosed
EP-0925291-B1 SPIROCYCLIC DOPAMINE RECEPTOR SUBTYPE LIGANDS PFIZER (US) 2005-11-30 — — EP disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 — — EP disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 — — WO disclosed
US-6664258-B1 Transphenylpiperazines; central dopaminergic activity PFIZER INC 2003-12-16 — — US disclosed
EP-0925291-A1 SPIROCYCLIC DOPAMINE RECEPTOR SUBTYPE LIGANDS PFIZER INC. (US) 1999-06-30 — — EP disclosed
WO-1998008835-A1 SPIROCYCLIC DOPAMINE RECEPTOR SUBTYPE LIGANDS PFIZER INC. (US) 1998-03-05 — — WO 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 (5 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-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 OPRL1 158/4885OPRM1 277/4885OPRD1 165/4885
US-11203592-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT OPRL1 2036/4885OPRM1 1911/4885OPRD1 1348/4885
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors CCR2, CXCR3, CCR5 OPRL1 163/4885OPRM1 296/4885OPRD1 193/4885
US-20210221806-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT OPRL1 2036/4885OPRM1 1911/4885OPRD1 1348/4885
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 KEAP1, NFE2L2, NQO1 OPRL1 2257/4885OPRM1 1919/4885OPRD1 1170/4885

“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.