SCHEMBL5097616

SCHEMBL5097616

CC(C)(C)OC(=O)N1CCC(NC(=O)C2(NC(=O)c3cc4ccccc4o3)CCCCC2)C(O)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 5/20 0.44
POLB P06746 1/20 0.43
MMP13 P45452 1/20 0.42
NAMPT P43490 2/20 0.40
RAB9A P51151 2/20 0.40
UTS2R Q9UKP6 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BACE1 P56817 2/20 0.39
USP30 Q70CQ3 1/20 0.38
BTK Q06187 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5098253 0.85 BTK (0.40) ALDH1A1HPGDSMN1; SMN2USP30BTK
SCHEMBL5105055 0.80 NPSR1 (0.44) TACR2POLBRAB9AALDH1A1HPGD
SCHEMBL5104505 0.80 TACR2 (0.44) TACR2POLBRAB9AALDH1A1HPGD
SCHEMBL5104941 0.80 TACR2 (0.42) TACR2POLBNAMPTRAB9AALDH1A1
SCHEMBL5105484 0.79 TACR2 (0.43) TACR2POLBRAB9AALDH1A1HPGD
SCHEMBL5110617 0.78 TACR2 (0.43) TACR2POLBRAB9AALDH1A1HPGD
SCHEMBL5104909 0.78 TACR2 (0.41) TACR2POLBRAB9AUTS2RALDH1A1
SCHEMBL5105669 0.77 TACR2 (0.42) TACR2POLBRAB9AALDH1A1NPC1
SCHEMBL5098358 0.77 NPSR1 (0.44) TACR2POLBRAB9AALDH1A1HPGD
SCHEMBL5110413 0.77 TACR2 (0.43) TACR2POLBRAB9AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342027-B2 1-phenylpiperidin-3-one derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2008-03-11 US disclosed
US-20050234057-A1 1-Phenylpiperidin-3-one derivatives and processes for the preparation thereof DONG-A PHARMACEUTICAL CO., LTD. (KR) 2005-10-20 US disclosed
WO-2004011457-A1 1-PHENYLPIPERIDIN-3-ONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2004-02-05 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-20050234057-A1 1-Phenylpiperidin-3-one derivatives and processes for the preparation thereof CTRL, PRCP, CLPP TACR2 3647/4885POLB 4036/4885MMP13 214/4885

“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.