SCHEMBL629337

SCHEMBL629337

CC1(C)CCc2cc(OCc3ccccc3)c(Br)cc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
KDM1A O60341 2/20 0.43
PTPN1 P18031 2/20 0.42
CHRNA7 P36544 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 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
SCHEMBL6477273 0.89 HTR2A (0.47) HTR2AHTR2CPTPN1RAB9ASMN1; SMN2
SCHEMBL629336 0.79 HTR2A (0.55) HTR2AHTR2CPTPN1CHRNA7RAB9A
SCHEMBL6477668 0.77 CCR5 (0.46) SMN1; SMN2MAPTL3MBTL1MAOB
SCHEMBL6472248 0.77 ABCB1 (0.44) PTPN1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL6473179 0.77 PTPN1 (0.45) PTPN1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL1495945 0.75 HTR2C (0.50) HTR2AHTR2CMAPT
SCHEMBL6477647 0.74 MAOB (0.50) SMN1; SMN2MAPTMAOB
SCHEMBL6086042 0.72 RAB9A (0.41) HTR2AHTR2CPTPN1RAB9ASMN1; SMN2
SCHEMBL20982537 0.71 HTR2A (0.52) HTR2AHTR2CPTPN1RAB9ASMN1; SMN2
SCHEMBL8846000 0.71 MAPT (0.46) RAB9ASMN1; SMN2MAPTMAPK1TDP1

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 2338/4885KDM1A 1835/4885

“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.