SCHEMBL4872229

SCHEMBL4872229

CC(C)(C)OC(=O)N1CCC(c2ccoc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.41
TACR1 P25103 1/20 0.41
PRMT5 O14744 3/20 0.39
YAP1 P46937 3/20 0.39
BACE1 P56817 2/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
GPR119 Q8TDV5 3/20 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
SCHEMBL4874370 0.89 JAK2 (0.46) TACR1PRMT5YAP1BACE1BACE2
SCHEMBL4862367 0.88 YAP1 (0.42) TACR1PRMT5YAP1BACE1BACE2
SCHEMBL4874927 0.88 USP30 (0.46) TACR1PRMT5YAP1BACE1BACE2
SCHEMBL7075188 0.86 REN (0.44) RENTACR1PRMT5YAP1BACE1
SCHEMBL6042351 0.86 REN (0.46) RENTACR1PRMT5YAP1BACE1
SCHEMBL6043110 0.86 REN (0.46) RENTACR1PRMT5YAP1BACE1
SCHEMBL4865775 0.86 GPR119 (0.40) TACR1YAP1BACE1JAK2JAK1
SCHEMBL6042241 0.85 REN (0.49) RENTACR1PRMT5YAP1JAK2
SCHEMBL6041545 0.85 REN (0.47) RENTACR1PRMT5YAP1JAK2
SCHEMBL6043910 0.85 REN (0.55) RENPRMT5YAP1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338965-B2 3,4-disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines PHARMACIA & UPJOHN COMPANY (US) 2008-03-04 US disclosed
EP-1448200-A2 (4-PHENYL)PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP disclosed
US-20040034031-A1 3,4-Disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines ELAN PHARMACEUTICALS, INC. 2004-02-19 US disclosed
WO-2003043987-A2 (4-PHENYL) PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 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-20040034031-A1 3,4-Disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines BACE1, APP, BACE2 REN 2765/4885TACR1 58/4885PRMT5 177/4885

“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.