SCHEMBL615074

SCHEMBL615074

CC(C)(C)OC(=O)N1CCN(c2ccccc2CO)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
ACHE P22303 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 1/20 0.50
GPR119 Q8TDV5 1/20 0.50
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
PBRM1 Q86U86 1/20 0.49
DTYMK P23919 1/20 0.49
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL7981893 0.92 GAA (0.56) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL8567338 0.89 GPR119 (0.48) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL28708137 0.88 GPR119 (0.49) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL110163 0.88 NCF1 (0.51) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL670559 0.87 ACHE (0.48) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL615082 0.86 GPR119 (0.48) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL7986047 0.86 CKS1B (0.57) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL8566291 0.85 ACHE (0.47) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL19297053 0.85 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL4511470 0.85 GPR119 (0.50) CHRM2CHRM4CHRM1CHRM3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108299338-B (2-benzylphenyl) piperazine derivatives and uses thereof 广东东阳光药业有限公司 2021-09-28 CN disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-9012460-B2 1-(2-phenoxymethylphenyl)piperazine compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-21 US disclosed
US-9012460-B2 1-(2-phenoxymethylphenyl)piperazine compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-21 US disclosed
US-9012460-B2 1-(2-phenoxymethylphenyl)piperazine compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-21 US disclosed
US-20140288089-A1 1-(2-PHENOXYMETHYLPHENYL)PIPERAZINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-09-25 US disclosed
US-20140288089-A1 1-(2-PHENOXYMETHYLPHENYL)PIPERAZINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-09-25 US disclosed
US-20140288089-A1 1-(2-PHENOXYMETHYLPHENYL)PIPERAZINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-09-25 US disclosed
US-8778949-B2 1-(2-phenoxymethylphenyl)piperazine compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-07-15 US disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 US disclosed
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed
WO-1998025617-A1 SUBSTITUTED ARYL PIPERAZINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-06-18 WO disclosed
EP-0783498-A4 SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS MERCK & CO INC (US) 1998-04-15 EP disclosed
EP-0783498-A1 SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS MERCK & CO. INC. (US) 1997-07-16 EP disclosed
US-5607936-A USEFUL IN TREATMENT OF RESPIRATORY DISEASES MERCK & CO., INC. (US) 1997-03-04 US disclosed
WO-1996010568-A1 SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS MERCK & CO., INC. (US) 1996-04-11 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-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R CHRM2 348/4885CHRM4 331/4885CHRM1 251/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR CHRM2 668/4885CHRM4 1856/4885CHRM1 251/4885
US-20140288089-A1 1-(2-PHENOXYMETHYLPHENYL)PIPERAZINE COMPOUNDS SLC6A2, SLC6A4, TPH1 CHRM2 84/4885CHRM4 269/4885CHRM1 47/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 CHRM2 2932/4885CHRM4 3744/4885CHRM1 3318/4885

“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.