SCHEMBL6079188

SCHEMBL6079188

O=C(OCc1ccccc1)N1CC(=O)N2CC3(CCN(c4ccncc4)CC3)OC2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.44
ITGA2B P08514 7/20 0.44
CYP2C9 P11712 4/20 0.42
CYP2D6 P10635 3/20 0.42
GRIN2B Q13224 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
SIGMAR1 Q99720 4/20 0.40
TMEM97 Q5BJF2 3/20 0.40
KDM1A O60341 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL7257427 0.87 GRIN2B (0.37) ITGB3ITGA2BCYP2C9CYP2D6GRIN2B
SCHEMBL6078572 0.85 MGLL (0.43) CYP2D6SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6078385 0.83 MEN1 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL6078789 0.82 ITGB3 (0.45) ITGB3ITGA2BCYP2C9CYP2D6GRIN2B
SCHEMBL7262982 0.81 SIGMAR1 (0.45) ITGB3ITGA2BCYP2C9CYP2D6SMN1; SMN2
SCHEMBL6079558 0.80 ITGB3 (0.44) ITGB3ITGA2BCYP2C9CYP2D6GRIN2B
SCHEMBL7262985 0.79 SIGMAR1 (0.55) SIGMAR1
SCHEMBL7262998 0.78 TGM2 (0.42)
SCHEMBL7263030 0.78 SIGMAR1 (0.49) SIGMAR1SLC6A4
SCHEMBL7258041 0.77 SIGMAR1 (0.48) SIGMAR1SLC6A4

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 8 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
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
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 ITGB3 3138/4885ITGA2B 1891/4885CYP2C9 139/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 ITGB3 3092/4885ITGA2B 1482/4885CYP2C9 194/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 ITGB3 3091/4885ITGA2B 1331/4885CYP2C9 194/4885

“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.