SCHEMBL629336

SCHEMBL629336

CC1(C)Cc2cc(Br)c(OCc3ccccc3)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.45
PTPN1 P18031 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRNA7 P36544 2/20 0.41
BRD4 O60885 1/20 0.40
MAOB P27338 1/20 0.40
LIPE Q05469 1/20 0.40
SLC6A4 P31645 1/20 0.39
CCR5 P51681 1/20 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
SCHEMBL18924505 0.80 L3MBTL1 (0.46) HTR2AHTR2CL3MBTL1MAPTMAPK1
SCHEMBL629337 0.79 HTR2A (0.52) HTR2AHTR2CL3MBTL1PTPN1RAB9A
SCHEMBL6477273 0.78 HTR2A (0.47) HTR2AHTR2CL3MBTL1PTPN1RAB9A
SCHEMBL20982537 0.74 HTR2A (0.52) HTR2AHTR2CL3MBTL1PTPN1RAB9A
SCHEMBL629711 0.74 HTR2A (0.50) HTR2AHTR2CL3MBTL1PTPN1RAB9A
SCHEMBL14865958 0.74 MAOB (0.63) HTR2AHTR2CPTPN1BRD4MAOB
SCHEMBL20482762 0.74 HTR2A (0.43) HTR2AHTR2CL3MBTL1PTPN1RAB9A
SCHEMBL2895199 0.74 SMN1; SMN2 (0.53) HTR2AHTR2CL3MBTL1PTPN1RAB9A
SCHEMBL30559859 0.74 SMN1; SMN2 (0.53) HTR2AHTR2CL3MBTL1PTPN1RAB9A
SCHEMBL17659021 0.73 MAPT (0.53) HTR2AHTR2CL3MBTL1PTPN1RAB9A

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 HTR2A 2446/4885HTR2C 2338/4885L3MBTL1 2421/4885

“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.