SCHEMBL6079503

SCHEMBL6079503

O=C1CN(S(=O)(=O)c2cc3cc(Cl)ccc3o2)CC2OC3(CCN(c4ccncc4)CC3)CN12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.46
CHRM1 P11229 2/20 0.34
FASN P49327 1/20 0.33
AKR1B1 P15121 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 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
SCHEMBL6078361 0.94 F10 (0.45) F10CHRM1FASNCYP1A2CYP2D6
SCHEMBL6080086 0.91 F10 (0.37) F10CHRM1FASNCYP1A2CYP2D6
SCHEMBL6078243 0.88 FASN (0.36) F10CHRM1FASNCYP1A2CYP2D6
SCHEMBL6079702 0.87 F10 (0.58) F10CHRM1FASNSMN1; SMN2
SCHEMBL6078565 0.86 F10 (0.36) F10CHRM1FASNCYP1A2CYP2D6
SCHEMBL7258000 0.85 F10 (0.48) F10CHRM1FASNCYP1A2CYP2D6
SCHEMBL6078751 0.83 F10 (0.48) F10CHRM1AKR1B1CYP1A2CYP2D6
SCHEMBL6078773 0.83 F10 (0.46) F10
SCHEMBL6078483 0.83 F10 (0.50) F10CHRM1AKR1B1CYP1A2CYP2D6
SCHEMBL6078848 0.82 F10 (0.48) F10

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 F10 23/4885CHRM1 4454/4885FASN 278/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 F10 7/4885CHRM1 4068/4885FASN 2740/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 F10 7/4885CHRM1 4540/4885FASN 2432/4885

“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.