SCHEMBL6280995

SCHEMBL6280995

O=C(c1ccc(Cl)c(Cl)c1)N1CCCCC1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.96
PKM P14618 1/20 0.71
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
NPBWR1 P48145 1/20 0.66
MCHR1 Q99705 1/20 0.66
ALDH1A1 P00352 3/20 0.66
HSD11B1 P28845 2/20 0.65
MAPT P10636 1/20 0.61
TSHR P16473 3/20 0.57
POLB P06746 1/20 0.57
LRRK2 Q5S007 1/20 0.56
RECQL P46063 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL2676273 0.87 HPGD (0.79) HPGDPKMMEN1KMT2ANPBWR1
SCHEMBL19088577 0.86 HPGD (0.73) HPGDMEN1KMT2ANPBWR1MCHR1
SCHEMBL5457332 0.85 LRRK2 (0.79) HPGDMEN1KMT2AALDH1A1LRRK2
SCHEMBL20516444 0.85 HPGD (0.71) HPGDPKMMEN1KMT2ANPBWR1
SCHEMBL14438968 0.85 HPGD (0.71) HPGDMEN1KMT2ANPBWR1MCHR1
SCHEMBL2091235 0.84 HPGD (0.74) HPGDPKMMEN1KMT2ANPBWR1
SCHEMBL15499084 0.84 HPGD (0.75) HPGDPKMMEN1KMT2ANPBWR1
SCHEMBL28355798 0.83 HPGD (0.69) HPGDPKMMEN1KMT2ANPBWR1
SCHEMBL19887433 0.83 HPGD (0.69) HPGDPKMMEN1KMT2ANPBWR1
SCHEMBL11293154 0.83 HPGD (0.73) HPGDPKMMEN1KMT2ANPBWR1

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-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
EP-1603564-A2 USE OF PYRIDIN-2-YLMETHYLAMINE DERIVATIVES FOR THE PRODUCTION OF A MEDICAMENT FOR THE TREATMENT OF CHRONIC NEUROPATHOLOGICAL OR PSYCHOGENIC PAIN SYMPTOMS PIERRE FABRE MEDICAMENT (FR) 2005-12-14 EP disclosed
WO-2004083171-A2 USE OF PYRIDIN-2-YLMETHYLAMINE DERIVATIVES FOR THE TREATMENT OF CHRONIC NEUROPATHOLOGICAL OR PSYCHOGENIC PAIN SYMPTOMS PIERRE FABRE MEDICAMENT (FR) 2004-09-30 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 (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 105/4885PKM 1229/4885MEN1 2895/4885
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT HPGD 105/4885PKM 1229/4885MEN1 2895/4885

“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.