SCHEMBL629387

SCHEMBL629387

COc1ccc2c(c1)CCC(C)C2O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.50
CYP19A1 P11511 2/20 0.49
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SRD5A1 P18405 2/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
CHRNA7 P36544 1/20 0.46
SLC6A9 P48067 1/20 0.45
DRD1 P21728 1/20 0.44
PPARD Q03181 1/20 0.44

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
SCHEMBL13534235 0.83 CHRNB2 (0.47) HTR2CDRD2DRD3CHRNA7DRD1
SCHEMBL9749054 0.83 LMNA (0.50) HTR2CCYP19A1LMNAHSD17B10SRD5A1
SCHEMBL30715514 0.83 CYP19A1 (0.48) HTR2CCYP19A1LMNAHSD17B10SRD5A1
SCHEMBL30715515 0.83 CYP19A1 (0.48) HTR2CCYP19A1LMNAHSD17B10SRD5A1
SCHEMBL9749057 0.83 LMNA (0.50) HTR2CCYP19A1LMNAHSD17B10SRD5A1
SCHEMBL4140163 0.83 LMNA (0.50) HTR2CCYP19A1LMNAHSD17B10SRD5A1
SCHEMBL607389 0.81 CYP19A1 (0.52) HTR2CCYP19A1LMNAHSD17B10SRD5A1
SCHEMBL16944438 0.80 HTR2C (0.64) HTR2CCYP19A1LMNASRD5A1DRD2
SCHEMBL8068811 0.80 HTR2C (0.64) HTR2CCYP19A1LMNASRD5A1DRD2
SCHEMBL31525384 0.80 HTR2C (0.64) HTR2CCYP19A1LMNASRD5A1DRD2

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 HTR2C 2338/4885CYP19A1 1316/4885LMNA 4839/4885

“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.