SCHEMBL29944007

SCHEMBL29944007

Cc1nc(C)c(C(=O)N2CCCCC2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
HPGD P15428 5/20 0.59
HTR2C P28335 1/20 0.54
SIGLEC9 Q9Y336 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
HSP90AA1 P07900 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PDE2A O00408 1/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPK1 P28482 2/20 0.46
LMNA P02545 2/20 0.46
CNR1 P21554 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
CES2 O00748 1/20 0.45
ALOX15 P16050 1/20 0.44
DUSP3 P51452 1/20 0.44

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
SCHEMBL3454926 1.00 ALDH1A1 (0.59) ALDH1A1HPGDHTR2CSIGLEC9KDM4E
SCHEMBL13779957 0.85 HTR2C (0.55) ALDH1A1HPGDHTR2CSIGLEC9KDM4E
SCHEMBL3589409 0.83 ALDH1A1 (0.61) ALDH1A1HPGDHTR2CKDM4EMEN1
SCHEMBL3402654 0.81 SIGLEC9 (0.48) ALDH1A1HPGDHTR2CSIGLEC9MEN1
SCHEMBL3589407 0.81 ALDH1A1 (0.54) ALDH1A1HPGDHTR2CKDM4EMEN1
SCHEMBL1426839 0.79 ALDH1A1 (0.52) ALDH1A1HPGDHTR2CSIGLEC9KDM4E
SCHEMBL3402162 0.78 ALDH1A1 (0.46) ALDH1A1HPGDHTR2CSIGLEC9MEN1
SCHEMBL5776775 0.77 ALDH1A1 (0.38) ALDH1A1HPGDHTR2CSIGLEC9MEN1
SCHEMBL3454733 0.77 SIGLEC9 (0.47) ALDH1A1HPGDHTR2CSIGLEC9MEN1
SCHEMBL12789540 0.76 CNR1 (0.77) ALDH1A1HPGDHTR2CKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230110003-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) Valo Health, LLC 2023-04-13 US disclosed
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) VALO HEALTH, INC. (US) 2022-10-25 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 (2 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-20230110003-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT ALDH1A1 265/4885HPGD 105/4885HTR2C 3428/4885
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT ALDH1A1 265/4885HPGD 105/4885HTR2C 3428/4885

“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.