SCHEMBL31010063

SCHEMBL31010063

Nc1ncc(CN2CCCCC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HRH3 Q9Y5N1 5/20 0.54
HRH4 Q9H3N8 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL20332426 0.81 LMNA (0.58) ALDH1A1HRH4KDM4EPRMT6
SCHEMBL13937097 0.81 SIGMAR1 (0.52) HRH3
SCHEMBL18202690 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EATMNPSR1L3MBTL1
SCHEMBL25171162 0.80 HRH3 (0.59) ALDH1A1HRH3HRH4KDM4ECHRNB2
SCHEMBL14566680 0.80 HRH3 (0.54) ALDH1A1HRH3HRH4KDM4ECHRNB2
SCHEMBL4267512 0.79 ALDH1A1 (0.59) ALDH1A1HRH3HRH4KDM4ECHRNB2
Hydrochloric Acid SCHEMBL23296000 0.79 LMNA (0.56) ALDH1A1HRH4KDM4EATMNPSR1
SCHEMBL30635452 0.78 HRH3 (0.52) ALDH1A1HRH3HRH4KDM4ECHRNB2
SCHEMBL20311330 0.78 HRH3 (0.56) ALDH1A1HRH3HRH4KDM4ECHRNB2
SCHEMBL18211891 0.78 HRH3 (0.50) ALDH1A1HRH3HRH4KDM4ECHRNB2

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-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS AG (CH) 2024-07-25 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 (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-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 ALDH1A1 2942/4885HRH3 4782/4885HRH4 4184/4885

“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.