SCHEMBL2925260

SCHEMBL2925260

CCOC(=O)C1(C2CCNCC2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
ABCB11 O95342 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CYP2D6 P10635 1/20 0.51
CHRM1 P11229 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CHRM3 P20309 1/20 0.51
DRD1 P21728 1/20 0.51
HRH2 P25021 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HRH1 P35367 1/20 0.51
DRD3 P35462 1/20 0.51
SCN1A P35498 1/20 0.51
THPO P40225 1/20 0.51

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
SCHEMBL1976918 0.97 CYP3A4 (0.48) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL2007741 0.93 OPRM1 (0.45) CYP3A4ABCB11LMNACYP1A2CHRM2
Hydrochloric Acid SCHEMBL19410760 0.92 CYP3A4 (0.44) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL1684100 0.88 OPRM1 (0.48) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL7733840 0.88 CYP3A4 (0.63) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL1311224 0.87 CYP3A4 (0.52) CYP3A4ABCB11LMNACYP1A2CHRM2
Hydrochloric Acid SCHEMBL1282252 0.87 OPRM1 (0.47) CYP3A4ABCB11LMNACYP1A2CHRM2
Tert-Butyl Formate SCHEMBL27609525 0.87 CYP3A4 (0.41) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL23225659 0.86 CYP3A4 (0.66) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL20103745 0.86 CYP3A4 (0.61) CYP3A4ABCB11LMNACYP1A2CHRM2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228364-A1 Acylsulfonamides as inhibitors of steroid sulfatase Novartis AG (CH) 2010-09-15 EP disclosed
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS MEINGASSNER JOSEF GOTTFRIED 2009-09-10 US disclosed
CN-100509774-C Acylsulfonamide compounds as steroid sulfatase inhibitors NOVARTIS AG (CH) 2009-07-08 CN disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 US disclosed
CN-101137374-A Combination of a steroid sulfatase inhibitor and an ascomycin NOVARTIS AG (CH) 2008-03-05 CN disclosed
CN-101137375-A Anti-inflammatory compounds NOVARTIS AG (CH) 2008-03-05 CN disclosed
EP-1861098-A1 ANTI-INFLAMMATORY COMPOUNDS Novartis AG (CH) 2007-12-05 EP disclosed
EP-1861099-A2 COMBINATION OF A STEROID SULFATASE INHIBITOR AND AN ASCOMYCIN Novartis AG (CH) 2007-12-05 EP disclosed
WO-2006097293-A2 COMBINATION OF A STEROID SULFATASE INHIBITOR AND AN ASCOMYCIN NOVARTIS AG (CH) 2006-09-21 WO disclosed
WO-2006097292-A1 ANTI-INFLAMMATORY COMPOUNDS NOVARTIS AG (CH) 2006-09-21 WO disclosed
US-20050059712-A1 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2005-03-17 US disclosed
CN-1564811-A Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2005-01-12 CN disclosed
EP-1436253-A1 ACYLSULFONAMIDES AS INHIBITORS OF STEROID SULFATASE Novartis AG (CH) 2004-07-14 EP disclosed
WO-2003031397-A1 ACYLSULFONAMIDES AS INHIBITORS OF STEROID SULFATASE NOVARTIS AG (CH) 2003-04-17 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 (3 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-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin STS, ARSA, CYP17A1 CYP3A4 1118/4885ABCB11 517/4885LMNA 4393/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO CYP3A4 450/4885ABCB11 1380/4885LMNA 4383/4885
US-20050059712-A1 Acylsulfonamides as inhibitors of steroid sulfatase STS, SULT2A1, ARSA CYP3A4 347/4885ABCB11 830/4885LMNA 4821/4885

“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.