SCHEMBL29944455

SCHEMBL29944455

COCc1ccc(C(=O)N2CCCCC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.56
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ DRD3 P35462 1/20 0.45
▸ L3MBTL3 Q96JM7 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ RAB9A P51151 5/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTK2 Q05397 1/20 0.43

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
SCHEMBL1934998 0.83 HRH3 (0.50) HRH3KMT2AMEN1DRD3L3MBTL3
SCHEMBL1936340 0.81 HRH3 (0.55) HRH3DRD3L3MBTL3L3MBTL1PRKAA2
SCHEMBL19744172 0.80 HRH3 (0.54) HRH3DRD3L3MBTL3L3MBTL1RAB9A
SCHEMBL1935814 0.79 HRH3 (0.54) HRH3KMT2AMEN1DRD3L3MBTL3
SCHEMBL5793804 0.78 HPGD (0.65) HRH3KMT2AMEN1L3MBTL1RAB9A
SCHEMBL1860009 0.77 NPC1 (0.52) HRH3L3MBTL3L3MBTL1RAB9APOLB
SCHEMBL16408483 0.76 TDP1 (0.63) HRH3L3MBTL3L3MBTL1RAB9ANPC1
SCHEMBL16546002 0.76 TDP1 (0.63) HRH3L3MBTL3L3MBTL1RAB9ANPC1
SCHEMBL17560240 0.76 MAPK1 (0.62) KMT2AL3MBTL3L3MBTL1RAB9ANPC1
SCHEMBL15633356 0.76 L3MBTL1 (0.52) HRH3KMT2AMEN1L3MBTL3L3MBTL1

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 HRH3 1783/4885KMT2A 888/4885MEN1 2895/4885
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT HRH3 1783/4885KMT2A 888/4885MEN1 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.

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