SCHEMBL29944101

SCHEMBL29944101

COc1cc(Cl)ccc1C(=O)N1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
HPGD P15428 2/20 0.67
LMNA P02545 1/20 0.67
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
HTT P42858 1/20 0.56
NPC1 O15118 1/20 0.54
ALOX15 P16050 1/20 0.54
HCRTR1 O43613 1/20 0.54
HCRTR2 O43614 1/20 0.54
GAA P10253 1/20 0.51
GRM5 P41594 1/20 0.51
ALDH1A1 P00352 2/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MGLL Q99685 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
SCHEMBL17502638 0.98 KMT2A (0.65) TSHRHPGDLMNAKMT2AMEN1
SCHEMBL18215257 0.88 KMT2A (0.63) TSHRHPGDLMNAKMT2AMEN1
SCHEMBL29944079 0.88 KMT2A (0.63) TSHRHPGDLMNAKMT2AMEN1
SCHEMBL1155940 0.87 TSHR (0.65) TSHRHPGDLMNAKMT2AMEN1
SCHEMBL17502702 0.87 KMT2A (0.65) TSHRHPGDLMNAKMT2AMEN1
SCHEMBL29944001 0.84 HPGD (0.68) TSHRHPGDLMNAKMT2AMEN1
SCHEMBL6710672 0.84 HPGD (0.68) TSHRHPGDLMNAKMT2AMEN1
SCHEMBL18215329 0.84 ALDH1A1 (0.62) TSHRHPGDLMNAKMT2AMEN1
SCHEMBL10156660 0.82 HPGD (0.67) TSHRHPGDLMNAKMT2AMEN1
SCHEMBL10293595 0.82 MEN1 (0.67) TSHRHPGDLMNAKMT2AMEN1

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 3065/4885HPGD 105/4885LMNA 1753/4885
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT TSHR 3065/4885HPGD 105/4885LMNA 1753/4885

“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.