SCHEMBL29944015

SCHEMBL29944015

O=C(c1cccc(Cl)c1Cl)N1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.67
NPC1 O15118 1/20 0.67
GLA P06280 1/20 0.67
P2RX7 Q99572 6/20 0.58
GAA P10253 2/20 0.58
KMT2A Q03164 2/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
HTR2C P28335 1/20 0.53
USP2 O75604 1/20 0.53
HSP90AA1 P07900 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52

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
SCHEMBL3454984 0.86 KMT2A (0.72) HPGDNPC1GLAGAAKMT2A
SCHEMBL3456393 0.86 KMT2A (0.72) HPGDNPC1GLAGAAKMT2A
SCHEMBL29944094 0.86 KMT2A (0.72) HPGDNPC1GLAGAAKMT2A
SCHEMBL17962353 0.85 P2RX7 (0.57) HPGDNPC1GLAP2RX7GAA
SCHEMBL4171372 0.84 KMT2A (0.73) HPGDNPC1GLAGAAKMT2A
SCHEMBL20516437 0.83 HPGD (0.58) HPGDNPC1GLAGAAKMT2A
SCHEMBL13503892 0.83 KMT2A (0.68) P2RX7GAAKMT2APOLBHSP90AA1
SCHEMBL15567382 0.83 RXFP1 (0.77) P2RX7GAAHSP90AA1RXFP1
SCHEMBL23793444 0.81 HPGD (0.73) HPGDNPC1GLAP2RX7KMT2A
SCHEMBL20516441 0.81 HPGD (0.56) HPGDNPC1GLAGAAKMT2A

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 HPGD 105/4885NPC1 322/4885GLA 2802/4885
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT HPGD 105/4885NPC1 322/4885GLA 2802/4885

“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.