SCHEMBL1303701

SCHEMBL1303701

Cn1nnnc1CCNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
GFER P55789 1/20 0.55
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
BCHE P06276 1/20 0.38
NQO2 P16083 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
SCHEMBL1783770 0.86 ALDH1A1 (0.50) ALDH1A1GFERHTTNPSR1FAAH
SCHEMBL1785691 0.83 ALDH1A1 (0.50) ALDH1A1GFERHTTNPSR1FAAH
SCHEMBL13189191 0.82 ALDH1A1 (0.49) ALDH1A1GFERHTTNPSR1FAAH
SCHEMBL18605357 0.81 ALDH1A1 (0.48) ALDH1A1GFERHTTNPSR1FAAH
SCHEMBL4032372 0.81 ALDH1A1 (0.46) ALDH1A1GFERHTTNPSR1FAAH
SCHEMBL7341365 0.80 NAALAD2 (0.50) ALDH1A1GFERHTTNPSR1FAAH
SCHEMBL3719209 0.78 ALDH1A1 (0.44) ALDH1A1GFERHTTNPSR1FAAH
SCHEMBL18605618 0.76 ALDH1A1 (0.43) ALDH1A1GFERHTTNPSR1FAAH
SCHEMBL1303921 0.75 ALDH1A1 (0.50) ALDH1A1GFERHTTNPSR1LMNA
SCHEMBL10828722 0.73 ALDH1A1 (0.42) ALDH1A1GFERHTTNPSR1FAAH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
EP-2178868-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
WO-2009010530-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-01-22 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 (1 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-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB ALDH1A1 3568/4885GFER 4528/4885HTT 4269/4885

“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.