SCHEMBL6079709

SCHEMBL6079709

O=C1CN(S(=O)(=O)C2=Cc3ccc(Cl)cc3OC2)CC2OC3(CCN(Cc4ccccc4)CC3)CN12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.38
SIGMAR1 Q99720 4/20 0.36
OPRM1 P35372 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
NR2F2 P24468 1/20 0.33
DRD4 P21917 1/20 0.33
HTT P42858 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 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
SCHEMBL6505799 0.91 SIGMAR1 (0.40) SIGMAR1OPRM1DRD2
SCHEMBL6079295 0.83 F10 (0.40)
SCHEMBL6079472 0.82 ALDH1A1 (0.45) TRPV4ALDH1A1KDM4EHTT
SCHEMBL6078497 0.78 ALDH1A1 (0.41) TRPV4SIGMAR1OPRM1ALDH1A1KDM4E
SCHEMBL6080134 0.77 TRPV4 (0.35) TRPV4SIGMAR1OPRM1ALDH1A1KDM4E
SCHEMBL6079566 0.76
SCHEMBL7257729 0.76 TSHR (0.43) SIGMAR1OPRM1HTT
SCHEMBL6079614 0.76 ALDH1A1 (0.48) SIGMAR1OPRM1ALDH1A1CHRM2CHRM3
SCHEMBL6078040 0.75 SIGMAR1 (0.42) SIGMAR1OPRM1ALDH1A1DRD2
SCHEMBL6077830 0.75 CYP2C9 (0.36) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TRPV4 3055/4885SIGMAR1 2556/4885OPRM1 4006/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 TRPV4 966/4885SIGMAR1 3298/4885OPRM1 3195/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 TRPV4 911/4885SIGMAR1 3914/4885OPRM1 3525/4885

“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.