SCHEMBL4754522

SCHEMBL4754522

CC(C)(O)CC(=O)N1CCC([C]=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
DPP4 P27487 3/20 0.35
SMO Q99835 2/20 0.32
FAAH O00519 1/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL584795 0.79 GNAI3 (0.50) NAMPTCYP3A4CYP2C9ALDH1A1NPC1
SCHEMBL14009820 0.77 NAMPT (0.42) NAMPTCYP3A4CYP2C9ALDH1A1NPC1
SCHEMBL4757605 0.77 NAMPT (0.41) NAMPTALDH1A1DPP4CYP2D6KCNH2
SCHEMBL4754524 0.76 NAMPT (0.41) NAMPTCYP3A4CYP2C9ALDH1A1NPC1
SCHEMBL21888398 0.76 HCRTR2 (0.43) NAMPTCYP3A4CYP2C9ALDH1A1NPC1
SCHEMBL4754538 0.76 ALDH1A1 (0.38) NAMPTCYP3A4ALDH1A1NPC1DPP4
SCHEMBL8487332 0.75 ATM (0.48) NAMPTCYP3A4CYP2C9ALDH1A1DPP4
SCHEMBL7292080 0.75 NPC1 (0.47) NAMPTALDH1A1NPC1
SCHEMBL2702633 0.74 CPN1 (0.47) ALDH1A1NPC1DPP4
SCHEMBL4757322 0.74 KMT2A (0.43) NAMPTCYP3A4CYP2C9ALDH1A1NPC1

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
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO claimed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US claimed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US 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-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR NAMPT 4382/4885CYP3A4 3670/4885CYP2C9 3831/4885

“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.