SCHEMBL629804

SCHEMBL629804

CCC1CCc2cc(OCc3ccccc3)c(N)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.41
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
BCHE P06276 2/20 0.38
CYP2D6 P10635 1/20 0.38
HRH1 P35367 1/20 0.38
BACE1 P56817 1/20 0.38
PDE4B Q07343 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL630175 0.81 POLB (0.43) CHRNA7
SCHEMBL630277 0.79 CHRNA7 (0.47) CHRNA7HRH3
SCHEMBL630746 0.78 AGTR2 (0.39) CHRNA7PDE4B
SCHEMBL3133767 0.70 LTA4H (0.55)
SCHEMBL4644108 0.68 L3MBTL1 (0.55)
SCHEMBL599314 0.67 CYP19A1 (0.54) SIGMAR1
SCHEMBL10879509 0.67 FAAH (0.46)
SCHEMBL11223475 0.67 NPC1 (0.51) CHRNA7
SCHEMBL29062640 0.67 PTGIR (0.53) SIGMAR1
SCHEMBL11143223 0.66 DGAT1 (0.53) BACE1SIGMAR1

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 CHRNA7 4601/4885HTR2A 2446/4885HTR2C 2338/4885

“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.