SCHEMBL6079405

SCHEMBL6079405

CN1C2CNCC(=O)N2CC12CCN(c1ccncc1)CC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.38
CYP2D6 P10635 5/20 0.38
TSHR P16473 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP1A2 P05177 3/20 0.38
ADRB2 P07550 1/20 0.38
NCF1 P14598 1/20 0.38
PLD1 Q13393 1/20 0.38
HIF1A Q16665 3/20 0.36
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
CYP3A4 P08684 6/20 0.36
ALDH1A1 P00352 1/20 0.36
F10 P00742 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CHKA P35790 1/20 0.34
HTR7 P34969 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
SCHEMBL6078969 0.77 ITGB3 (0.40) CYP2C9CYP2D6TSHRCYP2C19CYP1A2
SCHEMBL6078843 0.74 ADRB2 (0.38) CYP2C9CYP2D6TSHRCYP2C19CYP1A2
SCHEMBL7262113 0.72 CYP3A4 (0.53) CYP2C9CYP2D6TSHRCYP2C19CYP1A2
SCHEMBL7257470 0.71 F10 (0.45) CYP2C9CYP2D6TSHRCYP2C19CYP1A2
SCHEMBL6079558 0.69 ITGB3 (0.44) CYP2C9CYP2D6TSHRHIF1AITGB3
SCHEMBL6080063 0.66 F10 (0.44) CYP2C9CYP2D6TSHRCYP2C19CYP1A2
SCHEMBL14996507 0.63 CYP2C9 (0.58) CYP2C9CYP2D6TSHRCYP2C19CYP1A2
SCHEMBL14996530 0.62 CYP2C9 (0.56) CYP2C9CYP2D6TSHRCYP2C19CYP1A2
SCHEMBL23875490 0.61 CHKA (0.59) CYP2C9CYP2D6TSHRCYP2C19CYP1A2
SCHEMBL13131242 0.61 ADRB2 (0.58) CYP2C9CYP2D6TSHRCYP2C19CYP1A2

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 CYP2C9 139/4885CYP2D6 301/4885TSHR 2844/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 CYP2C9 194/4885CYP2D6 627/4885TSHR 1480/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 CYP2C9 194/4885CYP2D6 621/4885TSHR 1389/4885

“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.