SCHEMBL2548826

SCHEMBL2548826

CC(NC1CC1)c1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.54
FFAR1 O14842 2/20 0.54
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
CYP2D6 P10635 1/20 0.43
KCNH2 Q12809 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
SRC P12931 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5166469 0.83 OPRL1 (0.61) GPR84FFAR1SRC
SCHEMBL22094404 0.82 GAA (0.41) GPR84FFAR1CYP2D6L3MBTL1GAA
SCHEMBL31309074 0.82 GAA (0.41) GPR84FFAR1CYP2D6L3MBTL1GAA
SCHEMBL1717417 0.79 ROCK2 (0.53)
SCHEMBL30771660 0.78 GPR84 (0.62) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL1253068 0.78 GPR84 (0.62) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL30771661 0.78 GPR84 (0.62) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL19826342 0.78 AXL (0.44) GPR84HTR2AHTR2CHTR2BMAPK1
SCHEMBL12523949 0.78 AXL (0.44) GPR84HTR2AHTR2CHTR2BMAPK1
SCHEMBL7917319 0.77 GPR84 (0.61) GPR84FFAR1HTR2AHTR2CHTR2B

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-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
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-1833816-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2007-09-19 EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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-20110263560-A1 Organic Compounds REN, ACE, OTC GPR84 2424/4885FFAR1 4001/4885HTR2A 1526/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO GPR84 1808/4885FFAR1 3264/4885HTR2A 1825/4885

“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.