SCHEMBL29944128

SCHEMBL29944128

O=C(c1cc(F)ccc1F)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
CNR1 P21554 4/20 0.59
HPGD P15428 3/20 0.57
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
MAPT P10636 2/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.50
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL29816274 0.86 CNR1 (0.63) TSHRCNR1HPGDALDH1A1KMT2A
Hydrochloric Acid SCHEMBL28469010 0.85 CNR1 (0.61) CNR1HPGDALDH1A1KMT2ACES2
SCHEMBL3085217 0.85 CES2 (0.52) TSHRCNR1ALDH1A1MEN1KMT2A
SCHEMBL10126547 0.83 TSHR (0.59) TSHRCNR1HPGDALDH1A1MEN1
SCHEMBL4162751 0.83 HPGD (0.62) TSHRCNR1HPGDALDH1A1MEN1
SCHEMBL12636528 0.83 TSHR (0.59) TSHRCNR1HPGDALDH1A1MEN1
SCHEMBL3089158 0.83 HDAC8 (0.50) TSHRCNR1ALDH1A1MEN1KMT2A
SCHEMBL14602602 0.83 CNR1 (0.62) TSHRCNR1ALDH1A1MEN1KMT2A
SCHEMBL3087941 0.83 PARP1 (0.63) CES2CES1HDAC8
SCHEMBL31220894 0.83 PARP1 (0.63) CES2CES1HDAC8

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 TSHR 3065/4885CNR1 1693/4885HPGD 105/4885
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT TSHR 3065/4885CNR1 1693/4885HPGD 105/4885

“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.