SCHEMBL10183129

SCHEMBL10183129

CCc1cn(CCCOC)c2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
TBXAS1 P24557 1/20 0.41
ICMT O60725 7/20 0.40
MCL1 Q07820 3/20 0.40
REN P00797 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
HTR6 P50406 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
PTGER4 P35408 1/20 0.38

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
SCHEMBL13131410 0.89 MCL1 (0.48) KCNH2CNR2CNR1MCL1REN
SCHEMBL13131397 0.85 REN (0.51) CNR2CNR1TBXAS1ICMTREN
SCHEMBL13131399 0.84 IDO1 (0.47) CNR2CNR1TBXAS1ICMTREN
SCHEMBL91289 0.84 ICMT (0.55) KCNH2CNR2CNR1ICMTREN
SCHEMBL13131394 0.84 HTR6 (0.55) TBXAS1ICMTHTR6
SCHEMBL10184024 0.82 NPC1 (0.52)
SCHEMBL8263909 0.81 REN (0.39) CNR2CNR1MCL1REN
SCHEMBL13131398 0.81 ICMT (0.47) CNR2CNR1ICMTREN
SCHEMBL88821 0.80 CNR2 (0.57) CNR2CNR1ICMTMCL1REN
SCHEMBL18015838 0.79 KCNH2 (0.56) KCNH2CNR1TBXAS1MAPK8MAPK9

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 6 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-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 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 (3 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 KCNH2 39/4885CNR2 612/4885CNR1 520/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC KCNH2 337/4885CNR2 2914/4885CNR1 2496/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO KCNH2 417/4885CNR2 2361/4885CNR1 2054/4885

“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.