SCHEMBL6079080

SCHEMBL6079080

COCC1CN(Cc2ccccc2)CC(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.44
MAOA P21397 1/20 0.44
GRM5 P41594 3/20 0.43
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
GAA P10253 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM2 Q14416 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
SCHEMBL5372194 0.80 DRD4 (0.50) DRD4DRD2DRD3SIGMAR1
SCHEMBL6266738 0.78 GRM2 (0.53) MAOAGRM5MAPK1GRM2
SCHEMBL6266734 0.78 GRM2 (0.53) MAOAGRM5MAPK1GRM2
SCHEMBL9582052 0.75 DRD4 (0.73) DRD4DRD2DRD3
SCHEMBL9582407 0.75 DRD4 (0.73) DRD4DRD2DRD3
SCHEMBL1317540 0.75 DRD4 (0.73) DRD4DRD2DRD3
SCHEMBL2510348 0.75 KDM4E (0.48) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL17005417 0.75 GBA1 (0.47) DRD4DRD2DRD3SIGMAR1
SCHEMBL2308053 0.75 KDM4E (0.48) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL11652625 0.73 MAOA (0.40) MAOAGRM5MAPT

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 5 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
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 DRD4 4086/4885MAOA 618/4885GRM5 4546/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 DRD4 3654/4885MAOA 693/4885GRM5 4484/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 DRD4 3728/4885MAOA 494/4885GRM5 4398/4885

“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.