SCHEMBL88822

SCHEMBL88822

CCc1cn(CCCOC)c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.54
PRKCB P05771 3/20 0.54
CCNB2 O95067 1/20 0.54
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
RPS6KA3 P51812 1/20 0.54
CCNA1 P78396 1/20 0.54
CCNB3 Q8WWL7 1/20 0.54
REN P00797 1/20 0.52
CNR1 P21554 9/20 0.49
CNR2 P34972 9/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC3 O15379 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CFTR P13569 1/20 0.44

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
SCHEMBL13131379 0.96 GSK3B (0.51) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL22252332 0.86 CNR2 (0.53) GSK3BPRKCBCNR1CNR2HDAC3
SCHEMBL89569 0.82 GSK3B (0.53) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL89559 0.81 REN (0.51) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL13131380 0.80 REN (0.57) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL13131352 0.78 REN (0.52) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL13132295 0.78 REN (0.48) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL88821 0.77 CNR2 (0.57) RENCNR1CNR2ALDH1A1
SCHEMBL13168767 0.77 KDM4E (0.45) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL13131374 0.76 CCNB2 (0.39) GSK3BPRKCBCCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (2 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 GSK3B 4814/4885PRKCB 3915/4885CCNB2 192/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 GSK3B 4475/4885PRKCB 3900/4885CCNB2 2998/4885

“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.