SCHEMBL6080063

SCHEMBL6080063

COCC12CNCC(=O)N1CC1(CCN(c3ccncc3)CC1)N2C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.44
CYP3A4 P08684 8/20 0.40
CYP2D6 P10635 6/20 0.40
CYP2C9 P11712 4/20 0.40
TSHR P16473 4/20 0.40
HIF1A Q16665 3/20 0.39
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
ADRB2 P07550 1/20 0.33
NCF1 P14598 1/20 0.33
PLD1 Q13393 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHKA P35790 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
SCHEMBL4530558 0.78 CYP2D6 (0.40) CYP3A4CYP2D6CYP2C9TSHRHIF1A
SCHEMBL6078489 0.77 F10 (0.44) F10CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL6808966 0.76 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9TSHRHIF1A
SCHEMBL6078827 0.74 F10 (0.44) F10CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL6080076 0.71 F10 (0.51) F10CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL6079419 0.70 F10 (0.64) F10CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL6079405 0.66 CYP2C9 (0.38) F10CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL4531716 0.65 CYP2D6 (0.39) CYP3A4CYP2D6CYP2C9TSHRHIF1A
SCHEMBL6078969 0.61 ITGB3 (0.40) CYP3A4CYP2D6CYP2C9TSHRHIF1A
SCHEMBL6187083 0.61 HIF1A (0.60) CYP3A4CYP2D6CYP2C9TSHRHIF1A

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 5 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

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 F10 23/4885CYP3A4 166/4885CYP2D6 301/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 F10 7/4885CYP3A4 410/4885CYP2D6 621/4885

“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.