SCHEMBL2260669

SCHEMBL2260669

CCOC(=O)C(=O)CN1CCCCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.56
CHRM4 P08173 3/20 0.56
CHRM1 P11229 3/20 0.56
CHRM3 P20309 3/20 0.56
ALDH1A1 P00352 9/20 0.52
GAA P10253 4/20 0.52
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALPL P05186 1/20 0.46
ALPG P10696 1/20 0.46
NOTUM Q6P988 1/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL1395834 0.96 CHRM2 (0.58) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL7081990 0.83 ALDH1A1 (0.45) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL5250240 0.83 CHRM2 (0.60) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL20340248 0.80 ALDH1A1 (0.59) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL2991784 0.78 CHRM2 (0.68) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL30775585 0.78 CHRM2 (0.68) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL5660336 0.77 NOTUM (0.61) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL8981985 0.76 CHRM2 (0.67) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL9208129 0.76 NOTUM (0.57) ALDH1A1GAAL3MBTL1SMN1; SMN2MEN1
SCHEMBL21331595 0.75 CHRM2 (0.62) CHRM2CHRM4CHRM1CHRM3ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 US disclosed
US-8058425-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-11-15 US disclosed
US-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-08-25 US disclosed
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY 2009-04-23 US disclosed
US-7491716-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2009-02-17 US disclosed
EP-1483265-B1 PURINE DERIVATIVES AS KINASE INHIBITORS LILLY CO ELI (US) 2006-11-22 EP disclosed
US-20050090483-A1 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY 2005-04-28 US disclosed
US-6867198-B2 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY (US) 2005-03-15 US disclosed
EP-1483265-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2004-12-08 EP disclosed
US-6743785-B2 KINASE INHIBITORS; ANNULATED PYRROLE AND INDOLE RINGS; PYRROLO (3,2,1-HI)INDOLES; 3-(5,5-DIMETHYL-5,6-DIHYDRO-4H-PYRROLO (3,2,1-IJ)QUINOLIN-1-YL)-4-(1,2,3,4-TETRAHYDRO-(1,4) DIAZEPINO(6,7,1-HI)INDOL-7-YL)-PYRROLE-2,5-DIONE ELI LILLY AND COMPANY 2004-06-01 US disclosed
EP-1250334-B1 Medicaments useful for the treatment of proliferative diseases LILLY CO ELI (US) 2004-05-19 EP disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 US disclosed
WO-2003076442-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 WO disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 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 (6 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-20030092676-A1 Agents and method for the treatment of proliferative diseases MKI67, CDKN1A, CDK4 CHRM2 4669/4885CHRM4 4797/4885CHRM1 4705/4885
US-20050090483-A1 Purine derivatives as kinase inhibitors PNP, ADK, NME2 CHRM2 4487/4885CHRM4 4527/4885CHRM1 4123/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 CHRM2 4487/4885CHRM4 4527/4885CHRM1 4123/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 CHRM2 4487/4885CHRM4 4527/4885CHRM1 4123/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 CHRM2 4487/4885CHRM4 4527/4885CHRM1 4123/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 CHRM2 4745/4885CHRM4 4840/4885CHRM1 4706/4885

“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.