SCHEMBL26102489

SCHEMBL26102489

CC1CCCC(=O)N1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
POLB P06746 1/20 0.48
ACHE P22303 2/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 1/20 0.43
BACE1 P56817 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
KCNJ1 P48048 2/20 0.42
GBA1 P04062 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL23747370 0.92 POLB (0.50) HRH3POLBACHEMEN1KMT2A
SCHEMBL26099354 0.80 ALDH1A1 (0.54) ALDH1A1
SCHEMBL1240227 0.80 HCRTR2 (0.60) POLBMEN1KMT2ASMN1; SMN2
SCHEMBL27091858 0.80 HCRTR1 (0.58) ALDH1A1
SCHEMBL3156369 0.79 HRH3 (0.58) HRH3POLBACHEMEN1KMT2A
SCHEMBL2338116 0.79 HCRTR1 (0.53) ACHEMEN1KMT2AALDH1A1
SCHEMBL8366845 0.78 HCRTR1 (0.64)
SCHEMBL1965055 0.78 HCRTR1 (0.64)
SCHEMBL26548346 0.77 POLB (0.47) HRH3POLBMEN1KMT2AKDM4E
SCHEMBL19231676 0.75 POLB (0.46) HRH3POLBMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 HRH3 647/4885POLB 4018/4885ACHE 4531/4885

“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.