SCHEMBL6079536

SCHEMBL6079536

COCC12CN(C(=O)OCc3ccccc3)CC(=O)N1CC1(CCN(Cc3ccccc3)CC1)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MGLL Q99685 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
OPRM1 P35372 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DRD2 P14416 1/20 0.37
OPRD1 P41143 1/20 0.37

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
SCHEMBL6079058 0.92 MGLL (0.42) CYP2D6MEN1KMT2ANPSR1MGLL
SCHEMBL6078660 0.91 MEN1 (0.43) CYP2D6MEN1KMT2ANPSR1MGLL
SCHEMBL4520059 0.91 CYP2D6 (0.45) CYP2D6MGLLSIGMAR1OPRM1TSHR
SCHEMBL6079452 0.87 MEN1 (0.41) MEN1KMT2ANPSR1SIGMAR1NPC1
SCHEMBL7263014 0.85 ITGB3 (0.41) CYP2D6MEN1KMT2ANPSR1SIGMAR1
SCHEMBL6079416 0.79 CYP2D6 (0.45) CYP2D6MEN1KMT2ANPSR1NPC1
SCHEMBL4534459 0.78 SIGMAR1 (0.44) CYP2D6MGLLSIGMAR1OPRM1TSHR
SCHEMBL6079116 0.78 MEN1 (0.42) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL4532180 0.78 SIGMAR1 (0.42) CYP2D6MGLLSIGMAR1OPRM1TSHR
SCHEMBL4527683 0.78 SIGMAR1 (0.42) CYP2D6MGLLSIGMAR1OPRM1TSHR

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 CYP2D6 301/4885MEN1 1423/4885KMT2A 2943/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 CYP2D6 627/4885MEN1 631/4885KMT2A 3390/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 CYP2D6 621/4885MEN1 699/4885KMT2A 3342/4885

“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.