SCHEMBL8265490

SCHEMBL8265490

c1ccn2c(CNC3CC3)cnc2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.45
FDPS P14324 1/20 0.45
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
MAPK8 P45983 3/20 0.42
MAPK9 P45984 2/20 0.42
IRAK4 Q9NWZ3 8/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
FLT3 P36888 2/20 0.40
PLAU P00749 1/20 0.40
HDAC1 Q13547 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL10146037 0.78 GPR84 (0.49) GGPS1FDPSDRD4DRD3GPR84
SCHEMBL15008847 0.73 ALDH1A1 (0.45) GGPS1FDPSDRD4DRD3GPR84
SCHEMBL8360107 0.72 GGPS1 (0.53) GGPS1FDPSDRD4DRD3GPR84
SCHEMBL9797098 0.72 GGPS1 (0.56) GGPS1FDPSDRD4DRD3GPR84
SCHEMBL5755912 0.72 GGPS1 (0.53) GGPS1FDPSDRD4DRD3GPR84
SCHEMBL2017760 0.72 GGPS1 (0.53) GGPS1FDPSDRD4DRD3GPR84
SCHEMBL18265799 0.72 GGPS1 (0.53) GGPS1FDPSDRD4DRD3GPR84
SCHEMBL30456726 0.72 SSTR4 (0.49) GGPS1FDPSDRD4DRD3IRAK4
Hydrochloric Acid SCHEMBL5655467 0.70 GGPS1 (0.55) GGPS1FDPSDRD4DRD3GPR84
Hydrochloric Acid SCHEMBL2180991 0.70 GGPS1 (0.51) GGPS1FDPSDRD4DRD3GPR84

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 11 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-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-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-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
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
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 GGPS1 2663/4885FDPS 2211/4885DRD4 347/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO GGPS1 2239/4885FDPS 2095/4885DRD4 531/4885

“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.