SCHEMBL2656593

SCHEMBL2656593

CC(C)(C)C1CCC(=CC#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.47

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
SCHEMBL28122937 0.71 SMN1; SMN2 (0.33)
SCHEMBL10881206 0.71 DRD3 (0.43) DRD3
SCHEMBL24643164 0.71 DRD3 (0.47) DRD3
SCHEMBL3660355 0.71 DRD3 (0.41) DRD3
SCHEMBL14824203 0.69 HRH3 (0.40) DRD3
SCHEMBL10387758 0.68 MEN1 (0.30)
SCHEMBL1352840 0.66
SCHEMBL871135 0.66
SCHEMBL6712596 0.65 GLA (0.37)
SCHEMBL4934409 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104725270-B Method for preparing butylphenylacetonitrile 江西吉翔医药化工有限公司 2017-01-18 CN claimed
CN-104725270-A Method for preparing butylphenylacetonitrile JIANGXI JIXIANG PHARMACEUTICAL CO LTD 2015-06-24 CN claimed
CN-104725270-B Method for preparing butylphenylacetonitrile 江西吉翔医药化工有限公司 2017-01-18 CN disclosed
CN-104725270-A Method for preparing butylphenylacetonitrile JIANGXI JIXIANG PHARMACEUTICAL CO LTD 2015-06-24 CN disclosed
EP-1569915-A4 SPIROCYCLIC UREAS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2007-07-11 EP disclosed
US-20060116366-A1 Spirocyclic ureas, compositions containing such compounds and methods of use MERCK & CO., INC. 2006-06-01 US disclosed
EP-1569915-A2 SPIROCYCLIC UREAS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2005-09-07 EP disclosed
WO-2004050039-A2 SPIROCYCLIC UREAS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2004-06-17 WO 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-20060116366-A1 Spirocyclic ureas, compositions containing such compounds and methods of use UTS2R, GLP1R, GCGR DRD3 3773/4885

“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.