SCHEMBL4865775

SCHEMBL4865775

CC(C)(C)OC(=O)N1CCC(c2ccoc2)C(OCc2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.40
TACR1 P25103 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
TGFBR1 P36897 1/20 0.38
GRIN2B Q13224 1/20 0.37
KLK7 P49862 1/20 0.37
TP53 P04637 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HSD11B1 P28845 1/20 0.36
KMT2A Q03164 1/20 0.36
YAP1 P46937 1/20 0.35
BACE1 P56817 1/20 0.35

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 0.91 JAK2 (0.46) GPR119TACR1KLK7JAK2JAK1
SCHEMBL4874927 0.89 USP30 (0.46) GPR119TACR1KLK7JAK2JAK1
SCHEMBL4862367 0.88 YAP1 (0.42) GPR119TACR1KLK7JAK2JAK1
SCHEMBL4872229 0.86 REN (0.41) GPR119TACR1JAK2JAK1YAP1
SCHEMBL6621737 0.85 TACR1 (0.36) GPR119TACR1TGFBR1KLK7TP53
SCHEMBL6621977 0.81 GPR119 (0.41) GPR119TACR1JAK2JAK1KMT2A
SCHEMBL14265640 0.81 GPR119 (0.45) GPR119TACR1TP53JAK2JAK1
SCHEMBL4871295 0.80 ACHE (0.42) GPR119TACR1JAK2JAK1KDM4E
Tert-Butyl Formate SCHEMBL6620826 0.79 GPR119 (0.44) GPR119
SCHEMBL14256089 0.79 GPR119 (0.48) GPR119TACR1JAK2JAK1

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 GPR119 3438/4885TACR1 58/4885DDB1 1901/4885

“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.