SCHEMBL6078751

SCHEMBL6078751

O=C1CN(S(=O)(=O)c2cc3cc(Cl)ccc3o2)CC2NC3(CCN(c4ccncc4)CC3)CN12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.48
AKR1B1 P15121 1/20 0.35
CHRM1 P11229 4/20 0.33
CYP2C19 P33261 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 2/20 0.32
HIF1A Q16665 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL6078381 0.85 F10 (0.62) F10CHRM1
SCHEMBL6079503 0.83 F10 (0.46) F10AKR1B1CHRM1CYP2C19CYP2C9
SCHEMBL6078483 0.82 F10 (0.50) F10AKR1B1CHRM1CYP2C19CYP2C9
SCHEMBL6078976 0.81 F10 (0.47) F10
SCHEMBL6079100 0.78 F10 (0.63) F10AKR1B1CYP2C19CYP2C9CYP1A2
SCHEMBL7257479 0.78 CYP3A4 (0.54) F10CHRM1CYP2C19CYP2C9CYP1A2
SCHEMBL6078361 0.78 F10 (0.45) F10CHRM1CYP2C19CYP2C9CYP1A2
SCHEMBL7261687 0.77 LSS (0.46) F10CHRM1CYP2C19CYP2C9CYP1A2
SCHEMBL6079419 0.75 F10 (0.64) F10CYP2C19CYP1A2CYP2D6CYP3A4
SCHEMBL6078944 0.74 F10 (0.47) F10CYP2C19CYP2C9CYP1A2CYP2D6

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 23/4885AKR1B1 160/4885CHRM1 4454/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 F10 7/4885AKR1B1 286/4885CHRM1 4068/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 F10 7/4885AKR1B1 431/4885CHRM1 4540/4885

“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.