SCHEMBL89569

SCHEMBL89569

COCCCn1cc(C=O)c2cccnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.53
PRKCB P05771 2/20 0.53
CCNB2 O95067 1/20 0.53
CDK1 P06493 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
RPS6KA3 P51812 1/20 0.53
CCNA1 P78396 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR1 P21554 4/20 0.47
CNR2 P34972 4/20 0.47

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
SCHEMBL31516345 0.82 CNR1 (0.44) GSK3BPRKCBALDH1A1NPC1MAPT
SCHEMBL6087986 0.82 CNR1 (0.44) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL6090127 0.82 CNR2 (0.50) GSK3BPRKCBALDH1A1NPC1MAPT
SCHEMBL88822 0.82 GSK3B (0.54) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL13132291 0.80 ALDH1A1 (0.44) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL56944 0.79 ALDH1A1 (0.74) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL13131379 0.78 GSK3B (0.51) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL2808227 0.78 REN (0.41) GSK3BPRKCBCCNB2CDK1CCNB1
SCHEMBL15546774 0.75 POLB (0.39) GSK3BALDH1A1NPC1MAPTRAB9A
SCHEMBL8265051 0.75 ALDH1A1 (0.69) ALDH1A1NPC1MAPTRAB9ALMNA

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 10 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-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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 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
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (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.