SCHEMBL13131376

SCHEMBL13131376

CCc1cn(CCCOC)c2nccc(-c3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ CCNB2 O95067 1/20 0.42
▸ PRKCB P05771 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42
▸ REN P00797 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GLO1 Q04760 1/20 0.38
▸ GRM4 Q14833 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ADORA2A P29274 2/20 0.37

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
SCHEMBL13132408 0.82 RIPK2 (0.38) CCNA2CDK2GSK3BCCNB2PRKCB
SCHEMBL13131359 0.81 CNR1 (0.47) RENKDM4EALDH1A1L3MBTL1GAA
SCHEMBL13131375 0.81 GSK3B (0.39) CCNA2CDK2GSK3BCCNB2PRKCB
SCHEMBL13131374 0.81 CCNB2 (0.39) CCNA2CDK2GSK3BCCNB2PRKCB
SCHEMBL13168778 0.79 MTOR (0.45) CCNA2CDK2GSK3BCDK1CCNB1
SCHEMBL13132409 0.77 ALK (0.36) CCNA2CDK2GSK3BCCNB2PRKCB
SCHEMBL13131378 0.77 REN (0.45) CCNA2CDK2GSK3BCCNB2PRKCB
SCHEMBL13131377 0.77 KDM4C (0.37) CCNA2CDK2GSK3BCCNB2PRKCB
SCHEMBL88822 0.75 GSK3B (0.54) CCNA2CDK2GSK3BCCNB2PRKCB
SCHEMBL18509121 0.75 CCNA2 (0.43) CCNA2CDK2GSK3BCDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 — — EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 — — US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 — — 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 (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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 CCNA2 532/4885CDK2 62/4885GSK3B 4814/4885

“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.

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