Sugi Predict

Sugi Predict / Compounds / SCHEMBL1133336

SCHEMBL1133336

SCHEMBL1133336

O=C1CC2(CCNCC2)CCN1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 1/20 0.39
▸ HPGD P15428 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CRBN Q96SW2 4/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ OR51E2 Q9H255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ FKBP5 Q13451 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ USP2 O75604 1/20 0.31

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
SCHEMBL16190024 0.90 — —
SCHEMBL20758523 0.86 CRBN (0.38) NEK2CRBNTSHROR51E2GAA
SCHEMBL6560160 0.86 OR51E2 (0.39) CRBNOR51E2GAASMN1; SMN2FKBP5
SCHEMBL20633689 0.84 OR51E2 (0.37) CRBNOR51E2GAASMN1; SMN2FKBP5
SCHEMBL20758273 0.84 SMN1; SMN2 (0.35) CRBNOR51E2GAASMN1; SMN2FKBP5
SCHEMBL340964 0.84 OPRM1 (0.45) NEK2HPGDALDH1A1HSD17B10CRBN
Hydrochloric Acid SCHEMBL289271 0.82 OPRM1 (0.44) NEK2HPGDALDH1A1HSD17B10CRBN
SCHEMBL1133674 0.81 CYP2D6 (0.34) HPGDALDH1A1HSD17B10CYP2D6TSHR
SCHEMBL31580458 0.81 OPRM1 (0.42) CRBNOR51E2GAASMN1; SMN2FKBP5
SCHEMBL23119745 0.80 GAA (0.48) OR51E2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023056423-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR USE AS BIFUNCTIONAL DEGRADERS ESSA PHARMA, INC. (CA) 2023-04-06 — — WO claimed
EP-1716156-A2 CHEMOKINE CCR5 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-02 — — EP claimed
WO-2005075484-A2 CHEMOKINE CCR5 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-18 — — WO claimed
WO-2025235363-A1 CYCLIN-DEPENDENT KINASE 4 DEGRADERS BLUEPRINT MEDICINES CORPORATION (US) 2025-11-13 — — WO disclosed
WO-2023125486-A1 SOMATOSTATIN RECEPTOR SUBTYPE 5 ANTAGONISTS, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2023-07-06 — — WO disclosed
CN-116354961-A Somatostatin receptor 5 antagonist, and pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-06-30 — — CN disclosed
WO-2023056423-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR USE AS BIFUNCTIONAL DEGRADERS ESSA PHARMA, INC. (CA) 2023-04-06 — — WO disclosed
EP-3448522-B1 NOVEL SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN-2,3-DIOXYGENASE IOMET PHARMA LTD (GB) 2021-01-20 — — EP disclosed
EP-2285807-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-02-23 — — EP disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 — — US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 — — US disclosed
US-20080139544-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-06-12 — — US disclosed
US-7332500-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-02-19 — — US disclosed
US-20070232636-A1 Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-04 — — US disclosed
US-20070232636-A1 Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-04 — — US disclosed
EP-1716156-A2 CHEMOKINE CCR5 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-02 — — EP disclosed
WO-2005075484-A2 CHEMOKINE CCR5 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-18 — — WO disclosed
US-20050176703-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2005-08-11 — — US disclosed
EP-1390372-A1 1-OXA-3,9-DIAZA-SPIRO'5,5!UNDECAN-2-ONES DERIVATIVES AND ITS USE AS ANTAGONIST OF THE NEURIKININ RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-02-25 — — EP disclosed
WO-2002092604-A1 1-OXA-3,9-DIAZA-SPIRO'5,5!UNDECAN-2-ONES DERIVATIVES AND ITS USE AS ANTAGONIST OF THE NEURIKININ RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 — — 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 (4 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-20070232636-A1 Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists NPSR1, PROKR2, KISS1R NEK2 105/4885HPGD 1087/4885ALDH1A1 700/4885
US-20080139544-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 NEK2 4421/4885HPGD 634/4885ALDH1A1 481/4885
US-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B NEK2 3606/4885HPGD 1103/4885ALDH1A1 503/4885
US-20050176703-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 NEK2 4421/4885HPGD 634/4885ALDH1A1 481/4885

“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.