SCHEMBL6077830

SCHEMBL6077830

O=C1CN(S(=O)(=O)C2=Cc3ccccc3OC2)CC2OC3(CCN(c4ccncc4)CC3)CN12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.36
CYP2C19 P33261 5/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2D6 P10635 4/20 0.36
CYP1A2 P05177 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 2/20 0.36
MAPK1 P28482 1/20 0.34
TSHR P16473 3/20 0.33
F10 P00742 3/20 0.33
FASN P49327 3/20 0.32
CHRM1 P11229 2/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL6079295 0.89 F10 (0.40) CYP2C9CYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL6079566 0.84
SCHEMBL6505799 0.83 SIGMAR1 (0.40) CYP3A4CYP2D6CYP1A2TSHRSIGMAR1
SCHEMBL7257384 0.83 CYP3A4 (0.54) CYP2C9CYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL6078696 0.79 F10 (0.48) CYP2C9CYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL7257788 0.79 CYP2C19 (0.51) CYP2C9CYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL7258000 0.79 F10 (0.48) CYP2C9CYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL7257643 0.78 LSS (0.46) CYP2C9CYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL7261952 0.78 CYP3A4 (0.43) CYP2C9CYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL7257395 0.77 HRH3 (0.39) CYP2C9CYP2C19CYP3A4CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858599-B2 Inhibitor for activated blood coagulation factor X MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-02-22 US claimed
US-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US claimed
EP-1346994-A1 CHOLESTEROL BIOSYNTHESIS INHIBITORS CONTAINING AS THE ACTIVE INGREDIENT TRICYCLIC SPIRO COMPOUNDS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP claimed
US-20030045520-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 US claimed
US-7122662-B2 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-10-17 US disclosed
US-20050148769-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. 2005-07-07 US disclosed
US-6858599-B2 Inhibitor for activated blood coagulation factor X MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-02-22 US disclosed
US-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1346994-A1 CHOLESTEROL BIOSYNTHESIS INHIBITORS CONTAINING AS THE ACTIVE INGREDIENT TRICYCLIC SPIRO COMPOUNDS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP disclosed
US-20030045520-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 US 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-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds VKORC1, CYP46A1, TFPI CYP2C9 139/4885CYP2C19 144/4885CYP3A4 166/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 CYP2C9 194/4885CYP2C19 180/4885CYP3A4 450/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 CYP2C9 194/4885CYP2C19 152/4885CYP3A4 410/4885

“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.