SCHEMBL2548825

SCHEMBL2548825

Cn1cc(CNC2CC2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.57
CA2 P00918 1/20 0.55
MCHR1 Q99705 1/20 0.52
HTR2A P28223 1/20 0.51
SLC6A4 P31645 1/20 0.50
KDM4E B2RXH2 3/20 0.49
NPY5R Q15761 1/20 0.48
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
GAA P10253 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
SCHEMBL10119727 0.90 SLC6A4 (0.61) GPR84CA2MCHR1HTR2ASLC6A4
SCHEMBL5166463 0.83 OPRL1 (0.61) GPR84CA2MCHR1
SCHEMBL27854488 0.82 DNM2 (0.46) TSHR
SCHEMBL1072521 0.80 DNM2 (0.53) KDM4EALDH1A1
SCHEMBL8264241 0.80 P2RX7 (0.46) MCHR1LMNAKMT2AHDAC6
SCHEMBL1518736 0.79 CNR2 (0.47) MCHR1KDM4EHDAC6
SCHEMBL13794881 0.79 MCHR1 (0.59) MCHR1NPY5R
SCHEMBL8263895 0.79 POLB (0.49) KDM4EALDH1A1
SCHEMBL7996123 0.79 GPR84 (0.50) GPR84CA2HTR2ASLC6A4KDM4E
SCHEMBL16977262 0.78 DNM2 (0.46) MEN1KMT2A

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 8 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-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP 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 2424/4885CA2 494/4885MCHR1 3555/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO GPR84 1808/4885CA2 418/4885MCHR1 3619/4885

“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.