SCHEMBL630746

SCHEMBL630746

CC(=O)OC1CCc2cc(N)c(OCc3ccccc3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.39
CHRNA7 P36544 2/20 0.38
BRD4 O60885 1/20 0.38
FAAH O00519 4/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
PDE4B Q07343 1/20 0.37
TRPC6 Q9Y210 1/20 0.36
GPR183 P32249 1/20 0.36

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
SCHEMBL629197 0.83 CTSV (0.42)
SCHEMBL629819 0.81 HRH3 (0.52) FAAHNPC1RAB9A
SCHEMBL629804 0.78 CHRNA7 (0.41) CHRNA7PDE4B
SCHEMBL630277 0.74 CHRNA7 (0.47) CHRNA7NPC1RAB9A
SCHEMBL30612403 0.71 MTNR1A (0.53) FAAH
SCHEMBL10879509 0.70 FAAH (0.46) AGTR2FAAHNPC1PKMRAB9A
SCHEMBL629694 0.69 DRD3 (0.51)
SCHEMBL7210952 0.69 OPRK1 (0.51)
Acetic Acid SCHEMBL9653704 0.67 SMN1; SMN2 (0.52) BRD4NPC1RAB9A
SCHEMBL29697543 0.67 MTNR1A (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC AGTR2 424/4885CHRNA7 4601/4885BRD4 3125/4885

“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.