SCHEMBL31010095

SCHEMBL31010095

c1n[nH]cc1CN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.52
HRH4 Q9H3N8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHEK1 O14757 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GAA P10253 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
SCHEMBL5907241 0.98 HRH3 (0.48) HRH3HRH4ALDH1A1KDM4ECHRNB2
SCHEMBL26098964 0.83 SIGMAR1 (0.52) HRH3TDP1
SCHEMBL2462684 0.83 SCN9A (0.38) HRH3CHRNB2CHRNA4CHEK1
SCHEMBL27955520 0.81 CYP1A2 (0.51) HRH3CYP2D6TDP1
SCHEMBL5737465 0.81 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1
SCHEMBL23747331 0.81 MC4R (0.50) HRH3ALDH1A1KDM4E
SCHEMBL5740200 0.81 CHEK1 (0.51) HRH3ALDH1A1KDM4ECHEK1
SCHEMBL26546814 0.78 KDM4E (0.42) HRH3ALDH1A1KDM4ETDP1
SCHEMBL28258991 0.77 LTA4H (0.46) HRH3HRH4
SCHEMBL18097762 0.75 SCN9A (0.41) CHEK1

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 HRH3 4782/4885HRH4 4184/4885ALDH1A1 2942/4885

“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.