SCHEMBL630236

SCHEMBL630236

CC(C)=C1CCc2cc(OCc3ccccc3)ccc2C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.59
MAOB P27338 5/20 0.49
MAOA P21397 4/20 0.49
CYP2D6 P10635 3/20 0.49
HRH1 P35367 1/20 0.49
RXRA P19793 3/20 0.48
RXRB P28702 3/20 0.48
RXRG P48443 3/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
GFER P55789 1/20 0.47
PAX8 Q06710 1/20 0.47
KLF5 Q13887 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CARM1 Q86X55 1/20 0.47
KDM1A O60341 1/20 0.46

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
SCHEMBL18983602 0.79 HRH3 (0.59) HRH3MAOBMAOACYP2D6HRH1
SCHEMBL30299191 0.76 HRH3 (0.72) HRH3MAOBMAOACYP2D6HRH1
SCHEMBL12472442 0.76 HRH3 (0.72) HRH3MAOBMAOACYP2D6HRH1
SCHEMBL5450398 0.74 HRH3 (1.00) HRH3CYP2D6HRH1NPC1RAB9A
SCHEMBL6420814 0.74 MAOA (0.65) HRH3MAOBMAOACYP2D6RXRA
SCHEMBL29308752 0.74 MAOA (0.58) HRH3MAOBMAOAL3MBTL1
SCHEMBL11449734 0.73 HRH3 (0.59) HRH3MAOBMAOACYP2D6HRH1
Hydrochloric Acid SCHEMBL4937090 0.73 HRH3 (0.97) HRH3CYP2D6HRH1NPC1RAB9A
SCHEMBL3077665 0.73 HRH3 (0.67) HRH3MAOBMAOACYP2D6HRH1
SCHEMBL8762323 0.72 HRH3 (0.57) HRH3MAOBMAOACYP2D6HRH1

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 HRH3 2417/4885MAOB 1091/4885MAOA 1695/4885

“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.