SCHEMBL6505799

SCHEMBL6505799

O=C1CN(S(=O)(=O)C2=Cc3ccccc3OC2)CC2OC3(CCN(Cc4ccccc4)CC3)CN12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.40
OPRM1 P35372 6/20 0.39
KCNH2 Q12809 2/20 0.35
USP2 O75604 2/20 0.33
CYP2D6 P10635 2/20 0.33
MAOB P27338 1/20 0.33
DRD2 P14416 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6079709 0.91 TRPV4 (0.38) SIGMAR1OPRM1DRD2
SCHEMBL6079566 0.85
SCHEMBL6077830 0.83 CYP2C9 (0.36) SIGMAR1CYP2D6CYP1A2CYP3A4TSHR
SCHEMBL7257729 0.79 TSHR (0.43) SIGMAR1OPRM1KCNH2USP2CYP2D6
SCHEMBL6078040 0.78 SIGMAR1 (0.42) SIGMAR1OPRM1KCNH2USP2CYP2D6
SCHEMBL6079472 0.77 ALDH1A1 (0.45) TSHR
SCHEMBL6079295 0.74 F10 (0.40) CYP2D6CYP1A2CYP3A4TSHR
SCHEMBL6079614 0.74 ALDH1A1 (0.48) SIGMAR1OPRM1KCNH2
SCHEMBL6078497 0.73 ALDH1A1 (0.41) SIGMAR1OPRM1MAOBTSHR
SCHEMBL7261674 0.71 CYP3A4 (0.46) USP2CYP2D6CYP1A2CYP3A4TSHR

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 4 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 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 (2 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 SIGMAR1 2556/4885OPRM1 4006/4885KCNH2 3064/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 SIGMAR1 3298/4885OPRM1 3195/4885KCNH2 1817/4885

“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.