SCHEMBL29944113

SCHEMBL29944113

O=C(c1ccc2ncsc2c1)N1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.67
HTT P42858 2/20 0.67
CYP3A4 P08684 1/20 0.67
GAA P10253 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
DPP4 P27487 1/20 0.67
DPP8 Q6V1X1 1/20 0.67
HPGD P15428 6/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPT P10636 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
GPR183 P32249 1/20 0.60
KCNH2 Q12809 1/20 0.60
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
HKDC1 Q2TB90 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL31428894 0.86 LMNA (0.68) LMNAHTTCYP3A4GAACYP2C9
SCHEMBL31350985 0.79 LMNA (0.59) LMNAHTTCYP3A4GAACYP2C9
SCHEMBL13438241 0.78 GAA (0.66) LMNAHTTCYP3A4GAACYP2C9
SCHEMBL5464021 0.78 MAPT (0.74) LMNAHTTCYP3A4GAACYP2C9
SCHEMBL4532102 0.76 HPGD (1.00) HPGDALDH1A1SMN1; SMN2GRIA3GRIA4
Cx516 SCHEMBL194605 0.76 HPGD (1.00) HPGDALDH1A1SMN1; SMN2GRIA3GRIA4
Cx516 SCHEMBL31660971 0.76 HPGD (1.00) HPGDALDH1A1SMN1; SMN2GRIA3GRIA4
SCHEMBL4525058 0.76 HPGD (1.00) HPGDALDH1A1SMN1; SMN2GRIA3GRIA4
SCHEMBL1809453 0.76 LMNA (0.53) LMNAHTTCYP3A4GAACYP2C9
SCHEMBL1808151 0.76 LMNA (0.53) LMNAHTTCYP3A4GAACYP2C9

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 LMNA 1753/4885HTT 791/4885CYP3A4 1661/4885
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT LMNA 1753/4885HTT 791/4885CYP3A4 1661/4885

“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.