SCHEMBL6079452

SCHEMBL6079452

COCC12CN(C(=O)OCc3ccccc3)CC(=O)N1CC1(CCNCC1)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HTR2C P28335 2/20 0.38
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ENPP2 Q13822 1/20 0.35
ATXN2 Q99700 1/20 0.35
ALOX15 P16050 2/20 0.35
CYP2C19 P33261 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL6079116 0.91 MEN1 (0.42) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6079536 0.87 CYP2D6 (0.42) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7263014 0.84 ITGB3 (0.41) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6079058 0.79 MGLL (0.42) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6078260 0.79 MEN1 (0.39) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6078660 0.78 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6079539 0.73 ENPP2 (0.43) MEN1KMT2ANPSR1SMN1; SMN2ALDH1A1
SCHEMBL6078385 0.72 MEN1 (0.41) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4525850 0.71 MGLL (0.33) SMN1; SMN2GAAMAPK1ALDH1A1KDM4E
SCHEMBL13395027 0.71 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 MEN1 1423/4885KMT2A 2943/4885NPSR1 2510/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 MEN1 631/4885KMT2A 3390/4885NPSR1 2064/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 MEN1 699/4885KMT2A 3342/4885NPSR1 2197/4885

“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.