Sugi Predict

Sugi Predict / Compounds / SCHEMBL228642

SCHEMBL228642

SCHEMBL228642

COC(=O)C1CCC1CO

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CPB1 P15086 1/20 0.33
▸ PPM1B O75688 1/20 0.33
▸ PTPN1 P18031 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
SCHEMBL16699878 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL228643 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL17718015 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL30472587 0.88 SLC6A2 (0.40) CHRM2CHRM4CHRM3CYP3A4
SCHEMBL4135152 0.88 CHRM2 (0.43) CHRM2CHRM4CHRM3TSHR
SCHEMBL4135155 0.88 CHRM2 (0.43) CHRM2CHRM4CHRM3TSHR
SCHEMBL30472636 0.88 SLC6A2 (0.40) CHRM2CHRM4CHRM3CYP3A4
SCHEMBL4135157 0.88 CHRM2 (0.43) CHRM2CHRM4CHRM3TSHR
SCHEMBL1934486 0.88 SLC6A2 (0.40) CHRM2CHRM4CHRM3CYP3A4
SCHEMBL7318569 0.88 CHRM2 (0.43) CHRM2CHRM4CHRM3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340484-A Benzyloxy indole branched-chain acid derivative and its preparation method and use 上海美迪西生物医药股份有限公司 2022-11-15 — — CN disclosed
EP-3986553-A1 CYCLOBUTYL CARBOXYLIC ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-04-27 — — EP disclosed
WO-2020257139-A1 CYCLOBUTYL CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-24 — — WO disclosed
EP-3068785-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-06-26 — — EP disclosed
US-20160122358-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-05 — — US disclosed
US-9273058-B2 Substituted pyrazolo-piperazines as casein kinase 1 δ/ε inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 — — US disclosed
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 — — US disclosed
CN-101384581-B Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE 2013-09-18 — — CN disclosed
US-8415350-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2013-04-09 — — US disclosed
US-8415350-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2013-04-09 — — US disclosed
US-8039490-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2011-10-18 — — US disclosed
US-8039490-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2011-10-18 — — US disclosed
US-8039490-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2011-10-18 — — US disclosed
CN-101384581-A Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE (CH) 2009-03-11 — — CN disclosed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 — — EP disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 — — WO 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
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
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 (3 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-20160122358-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 CHRM2 4516/4885CHRM4 4648/4885CHRM3 4719/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C CHRM2 175/4885CHRM4 307/4885CHRM3 216/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 CHRM2 4516/4885CHRM4 4648/4885CHRM3 4719/4885

“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.