SCHEMBL13103572

SCHEMBL13103572

CC(C)(C)N1CCN(C(=O)Cc2ccccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.55
▸ ALDH1A1 P00352 7/20 0.55
▸ CNR1 P21554 1/20 0.54
▸ FNTA P49354 2/20 0.47
▸ FNTB P49356 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ EPHX2 P34913 1/20 0.45
▸ HPGD P15428 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TACR1 P25103 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ HRH3 Q9Y5N1 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
SCHEMBL13621171 0.84 KDM4E (0.59) KDM4EALDH1A1CNR1FNTAFNTB
SCHEMBL17937010 0.84 ALDH1A1 (0.59) KDM4EALDH1A1CNR1FNTAFNTB
SCHEMBL3956276 0.83 GPR119 (0.54) KDM4EALDH1A1CNR1TACR1
SCHEMBL13118001 0.82 KDM4E (0.64) KDM4EALDH1A1CNR1FNTAFNTB
SCHEMBL10574538 0.81 ALDH1A1 (0.58) KDM4EALDH1A1CNR1FNTAFNTB
SCHEMBL20353682 0.81 KDM4E (0.55) KDM4EALDH1A1CNR1FNTAFNTB
SCHEMBL18705021 0.81 KDM4E (0.55) KDM4EALDH1A1CNR1FNTAFNTB
SCHEMBL30793467 0.80 GPR119 (0.51) KDM4EALDH1A1CNR1KMT2ATACR1
SCHEMBL10574244 0.79 HSD17B10 (0.62) KDM4EALDH1A1CNR1SMN1; SMN2HPGD
SCHEMBL30455177 0.78 HPGD (0.40) KDM4EALDH1A1SMN1; SMN2HPGDKMT2A

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-20100267706-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-10-21 — — 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-20100267706-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives CFTR, PKD1, PKD2 KDM4E 3934/4885ALDH1A1 2517/4885CNR1 752/4885

“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.

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