SCHEMBL23745944

SCHEMBL23745944

c1cncc(OCCOc2ccncc2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.62
CHRNA4 P43681 7/20 0.62
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ORAI1 Q96D31 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRNA3 P32297 2/20 0.47
CHRNA7 P36544 2/20 0.47
CHRNA1 P02708 1/20 0.47
CHRNG P07510 1/20 0.47
CHRNB1 P11230 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRND Q07001 1/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL31742565 0.86 CHRNB2 (0.65) CHRNB2CHRNA4CYP3A4ORAI1CHRNA3
SCHEMBL9263607 0.83 CHRNB2 (0.57) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL7536878 0.83 CHRNB2 (0.57) CHRNB2CHRNA4CYP19A1LMNATDP1
SCHEMBL525095 0.82 CYP2D6 (0.56) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL10090161 0.82 CHRNB2 (0.66) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL29985985 0.82 CHRNB2 (0.66) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL19875367 0.80 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL238711 0.80 CHRNB2 (0.62) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL1875084 0.80 CHRNB2 (0.62) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL3266596 0.80 CHRNB2 (0.62) CHRNB2CHRNA4ORAI1KMT2ACHRNA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246147-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) Valo Health, LLC 2021-08-12 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 (1 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-20210246147-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT CHRNB2 2395/4885CHRNA4 1706/4885CYP3A4 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.