SCHEMBL2852687

SCHEMBL2852687

OCC1CCCN1c1nc(NCC(c2ccccc2)c2ccccc2)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CDK1 P06493 9/20 0.48
CDK5 Q00535 4/20 0.47
ACVR1 Q04771 1/20 0.43
KDM4E B2RXH2 6/20 0.42
GAA P10253 4/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 2/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
NPY1R P25929 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL3644297 0.84 CDK1 (0.62) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL3644294 0.84 CDK1 (0.62) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL20733814 0.83 HRH4 (0.58) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL20718973 0.83 HRH4 (0.58) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL3641451 0.80 CTNNB1 (0.56) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL3641458 0.80 CTNNB1 (0.56) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL20733875 0.80 HRH4 (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2852678 0.79 HRH4 (0.51) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2845074 0.79 HRH4 (0.53) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2846271 0.78 CDK1 (0.51) CCNE2CCNE1CDK2CDK1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 US claimed
WO-2010056907-A2 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-20 WO claimed
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 US disclosed
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 US disclosed
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 US disclosed
WO-2010056907-A2 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-20 WO disclosed
WO-2010056907-A2 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-20 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 (1 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-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION IAPP, PNLIP, GPR119 CCNE2 78/4885CDK4 143/4885CCND1 70/4885

“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.