SCHEMBL29944207

SCHEMBL29944207

O=C(c1cc2ccccc2[nH]1)N1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.76
HRH3 Q9Y5N1 2/20 0.76
POLB P06746 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
AKR1C3 P42330 7/20 0.64
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
MEN1 O00255 1/20 0.60
HCRTR1 O43613 1/20 0.60
KMT2A Q03164 1/20 0.60
DRD2 P14416 1/20 0.58
DRD3 P35462 1/20 0.58

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
SCHEMBL2345954 1.00 HRH4 (0.76) HRH4HRH3POLBSMN1; SMN2NPC1
SCHEMBL2350768 0.98 HRH4 (0.78) HRH4HRH3POLBSMN1; SMN2NPC1
SCHEMBL602187 0.88 HRH4 (0.74) HRH4HRH3POLBSMN1; SMN2DRD2
SCHEMBL22615143 0.87 HRH4 (0.89) HRH4HRH3POLBSMN1; SMN2AKR1C3
Benzoxazolinone SCHEMBL3094881 0.86 POLB (0.60) HRH4HRH3POLBSMN1; SMN2NPC1
SCHEMBL28469741 0.86 HRH4 (0.74) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL29699763 0.86 HRH4 (1.00) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL2679610 0.86 HRH4 (1.00) HRH4HRH3POLBSMN1; SMN2AKR1C3
Potassium Ion SCHEMBL22615122 0.85 HRH4 (0.71) HRH4HRH3POLBSMN1; SMN2NPC1
SCHEMBL22615176 0.85 HRH4 (0.74) HRH4HRH3POLBSMN1; SMN2AKR1C3

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-20230110003-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) Valo Health, LLC 2023-04-13 US disclosed
CN-115943307-A MR1 ligands and pharmaceutical compositions for immunomodulation 巴塞尔大学 2023-04-07 CN 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 HRH4 2277/4885HRH3 1783/4885POLB 907/4885
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT HRH4 2277/4885HRH3 1783/4885POLB 907/4885

“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.