SCHEMBL6078417

SCHEMBL6078417

O=C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC2(CO)OC3(CCN(c4ccncn4)CC3)CN12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.55
SMN1; SMN2 Q16637 2/20 0.34
LSS P48449 1/20 0.34
FASN P49327 1/20 0.34
PLG P00747 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
AKT1 P31749 1/20 0.32
SORD Q00796 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32

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
SCHEMBL6079502 0.91 F10 (0.51) F10SMN1; SMN2FASNPLGPRSS1
SCHEMBL6079244 0.90 F10 (0.50) F10LSSFASNPLGPRSS1
SCHEMBL6079662 0.90 F10 (0.68) F10
SCHEMBL6078682 0.87 F10 (0.51) F10SMN1; SMN2LSSFASNPLG
SCHEMBL6079857 0.87 F10 (0.51) F10SMN1; SMN2
SCHEMBL6079877 0.84 F10 (0.50) F10SMN1; SMN2PLGPRSS1PRSS2
SCHEMBL6079604 0.83 F10 (0.42) F10SMN1; SMN2PLGPRSS1PRSS2
SCHEMBL6079446 0.82 F10 (0.51) F10SMN1; SMN2TRPV4
SCHEMBL6079429 0.82 F10 (0.61) F10SMN1; SMN2
Hydrochloric Acid SCHEMBL6079428 0.81 F10 (0.50) F10SMN1; SMN2TRPV4

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 7 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
EP-1191028-B1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARM CO LTD (JP) 2004-11-03 EP 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
US-20030045520-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 US disclosed
EP-1191028-A1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-03-27 EP 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 F10 23/4885SMN1; SMN2 4813/4885LSS 78/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 F10 7/4885SMN1; SMN2 4621/4885LSS 1635/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 F10 7/4885SMN1; SMN2 4701/4885LSS 1384/4885

“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.