SCHEMBL6621771

SCHEMBL6621771

CC(C)(C)OC(=O)N1CC=C(c2ccc3ccccc3n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.60
GRM1 Q13255 11/20 0.60
GRM5 P41594 11/20 0.60
PDK4 Q16654 1/20 0.54
NAMPT P43490 1/20 0.51
HTR6 P50406 1/20 0.48
TNK2 Q07912 1/20 0.45

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
SCHEMBL7845539 0.91 PDE10A (0.53) PDE10AGRM1GRM5PDK4NAMPT
SCHEMBL171489 0.87 PDE10A (0.46) PDE10AGRM1GRM5NAMPT
SCHEMBL30308912 0.86 GRM1 (0.64) PDE10AGRM1GRM5PDK4NAMPT
SCHEMBL7837563 0.85 GRM1 (0.59) PDE10AGRM1GRM5PDK4NAMPT
SCHEMBL29591544 0.85 GRM1 (0.59) PDE10AGRM1GRM5PDK4NAMPT
SCHEMBL7836976 0.84 GRM1 (0.51) PDE10AGRM1GRM5PDK4NAMPT
SCHEMBL24165372 0.83 GRM1 (0.53) PDE10AGRM1GRM5PDK4NAMPT
SCHEMBL30648008 0.83 GRM1 (0.53) PDE10AGRM1GRM5PDK4NAMPT
SCHEMBL23015101 0.82 GRM1 (0.57) PDE10AGRM1GRM5PDK4NAMPT
SCHEMBL25480230 0.81 GRM1 (0.59) PDE10AGRM1GRM5PDK4NAMPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083178-B1 Tetrahydroquinazoline-2,4-diones and therapeutic uses thereof PFIZER PROD INC (US) 2004-09-15 EP disclosed
US-20030109516-A1 Tetrahydroquinazoline-2,4-diones and therapeutic uses thereof PFIZER INC. 2003-06-12 US disclosed
US-6521630-B1 Serotonin reuptake inhibitors; treatment of diseases, conditions or disorders of the central nervous system PFIZER INC. 2003-02-18 US disclosed
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
EP-1083178-A1 Tetrahydroquinazoline-2,4-diones and therapeutic uses thereof Pfizer Products Inc. (US) 2001-03-14 EP disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 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 (1 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-20030109516-A1 Tetrahydroquinazoline-2,4-diones and therapeutic uses thereof HTR2C, HTR1F, HTR3C PDE10A 2489/4885GRM1 82/4885GRM5 92/4885

“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.