Sugi Predict

Sugi Predict / Compounds / SCHEMBL227250

SCHEMBL227250

SCHEMBL227250

CCOC(=O)CC1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.45
▸ BTK Q06187 1/20 0.43
▸ EPHX1 P07099 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ SMYD3 Q9H7B4 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL227251 1.00 DRD2 (0.45) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL18896411 0.92 BTK (0.48) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL15688768 0.92 BTK (0.48) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL27181833 0.91 DRD2 (0.42) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL27181835 0.91 DRD2 (0.42) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL25042067 0.87 SMYD3 (0.46) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL31205818 0.87 SMYD3 (0.46) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL15285429 0.87 BTK (0.44) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL21211377 0.87 BTK (0.44) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL912304 0.87 DRD2 (0.47) DRD2BTKEPHX1KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493399-A Preparation method for converting configuration of key intermediate of cariprazine 北京万全德众医药生物技术有限公司 2021-10-12 — — CN claimed
EP-3495363-B1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT SHIONOGI & CO (JP) 2023-08-23 — — EP disclosed
CN-110088093-B Acyl sulfonamide nav1.7 inhibitors 百时美施贵宝公司 2023-06-13 — — CN disclosed
US-11345716-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect SHIONOGI & CO., LTD. (JP) 2022-05-31 — — US disclosed
EP-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 — — EP disclosed
CN-113493399-A Preparation method for converting configuration of key intermediate of cariprazine 北京万全德众医药生物技术有限公司 2021-10-12 — — CN disclosed
CN-113493399-A Preparation method for converting configuration of key intermediate of cariprazine 北京万全德众医药生物技术有限公司 2021-10-12 — — CN disclosed
US-20210009607-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2021-01-14 — — US disclosed
US-10870660-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect SHIONOGI & CO., LTD. (JP) 2020-12-22 — — US disclosed
US-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-17 — — US disclosed
EP-2079693-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-22 — — EP disclosed
WO-2009019174-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 — — WO disclosed
US-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2009-02-12 — — US disclosed
US-20090029977-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 — — US disclosed
WO-2009013212-A2 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 — — WO disclosed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 — — EP disclosed
WO-2008052899-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 — — WO disclosed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 — — US disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 — — WO disclosed
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 — — 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 (8 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-11345716-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect DRD3, DRD4, DRD2 DRD2 3/4885BTK 2007/4885EPHX1 4291/4885
US-10870660-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect DRD3, DRD4, DRD2 DRD2 3/4885BTK 2007/4885EPHX1 4291/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C DRD2 16/4885BTK 3933/4885EPHX1 2182/4885
US-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR5A DRD2 6/4885BTK 3640/4885EPHX1 2709/4885
US-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors SCN7A, SCN1A, SCN8A DRD2 3748/4885BTK 2000/4885EPHX1 3847/4885
US-20210009607-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT DRD3, DRD4, DRD2 DRD2 3/4885BTK 2007/4885EPHX1 4291/4885
US-20080103174-A1 ETHER DERIVATIVES GABRE, BDNF, ADH1A DRD2 59/4885BTK 3625/4885EPHX1 360/4885
US-20090029977-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR1A DRD2 6/4885BTK 3511/4885EPHX1 2343/4885

“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.