SCHEMBL6079558

SCHEMBL6079558

CN1C2CN(C(=O)OCc3ccccc3)CC(=O)N2CC12CCN(c1ccncc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.44
ITGA2B P08514 6/20 0.44
TMEM97 Q5BJF2 8/20 0.42
SIGMAR1 Q99720 8/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
HRH2 P25021 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41

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
SCHEMBL6078789 0.81 ITGB3 (0.45) ITGB3ITGA2BTMEM97SIGMAR1HTR1A
SCHEMBL6079188 0.80 ITGB3 (0.44) ITGB3ITGA2BTMEM97SIGMAR1HTR1A
SCHEMBL6078827 0.77 F10 (0.44) ITGB3ITGA2BTMEM97SIGMAR1HTR1A
SCHEMBL7262113 0.75 CYP3A4 (0.53) CYP2D6CYP2C9HIF1AALDH1A1TSHR
SCHEMBL6078819 0.72 F10 (0.42) ITGB3ITGA2BTMEM97SIGMAR1HTR1A
SCHEMBL7263014 0.72 ITGB3 (0.41) ITGB3ITGA2BTMEM97SIGMAR1HTR1A
SCHEMBL5729079 0.70 GRIN2B (0.50) ITGB3ITGA2BTMEM97SIGMAR1HTR1A
SCHEMBL5729241 0.70 GRIN2B (0.46) ITGB3ITGA2BTMEM97SIGMAR1HTR1A
SCHEMBL1313183 0.69 NPSR1 (0.57) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL7257427 0.68 GRIN2B (0.37) ITGB3ITGA2BTMEM97SIGMAR1CYP2D6

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 ITGB3 3138/4885ITGA2B 1891/4885TMEM97 2792/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 ITGB3 3092/4885ITGA2B 1482/4885TMEM97 3833/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 ITGB3 3091/4885ITGA2B 1331/4885TMEM97 3901/4885

“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.