SCHEMBL2961019

SCHEMBL2961019

CCNC(=O)Cc1cccc(C(=O)C=CN(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.53
▸ ALDH1A1 P00352 9/20 0.53
▸ HTT P42858 5/20 0.53
▸ GAA P10253 4/20 0.53
▸ HPGD P15428 3/20 0.53
▸ RAB9A P51151 5/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RECQL P46063 2/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ LMNA P02545 4/20 0.43
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40

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
SCHEMBL2961017 1.00 MAPT (0.53) MAPTALDH1A1HTTGAAHPGD
SCHEMBL9533846 0.79 RECQL (0.56) MAPTALDH1A1HTTGAAHPGD
SCHEMBL9533855 0.79 RECQL (0.56) MAPTALDH1A1HTTGAAHPGD
SCHEMBL5480229 0.79 BCHE (0.62) MAPTALDH1A1HTTGAAHPGD
SCHEMBL5477573 0.78 MAPT (0.61) MAPTALDH1A1HTTGAAHPGD
SCHEMBL9530453 0.78 RECQL (0.55) MAPTALDH1A1HTTGAAHPGD
SCHEMBL5946453 0.77 MAPT (0.77) MAPTALDH1A1HTTGAAHPGD
SCHEMBL5478964 0.76 RECQL (0.60) MAPTALDH1A1HTTGAAHPGD
SCHEMBL7364611 0.74 ALDH1A1 (0.67) MAPTALDH1A1HTTGAAHPGD
SCHEMBL525132 0.74 ALDH1A1 (0.67) MAPTALDH1A1HTTGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772394-B2 alkylating 3-[3-(dimethylamino)-1-oxo-2-propenyl]-phenyl]-acetamide with ethyl iodide in the presence of an alkali metal hydroxide or alkoxide in an aprotic solvent, condensing intermediate and 3-amino-4-cyanopyrazole in presence of water insoluble acid (edetic acid), ion exchange resin, water CIPLA LIMITED (IN) 2010-08-10 — — US claimed
US-20070191399-A1 Zaleplon synthesis CIPLA LIMITED (IN) 2007-08-16 — — US claimed
WO-2005023813-A1 ZALEPLON SYNTHESIS CIPLA LIMITED (IN) 2005-03-17 — — WO claimed
US-7772394-B2 alkylating 3-[3-(dimethylamino)-1-oxo-2-propenyl]-phenyl]-acetamide with ethyl iodide in the presence of an alkali metal hydroxide or alkoxide in an aprotic solvent, condensing intermediate and 3-amino-4-cyanopyrazole in presence of water insoluble acid (edetic acid), ion exchange resin, water CIPLA LIMITED (IN) 2010-08-10 — — US disclosed
US-7772394-B2 alkylating 3-[3-(dimethylamino)-1-oxo-2-propenyl]-phenyl]-acetamide with ethyl iodide in the presence of an alkali metal hydroxide or alkoxide in an aprotic solvent, condensing intermediate and 3-amino-4-cyanopyrazole in presence of water insoluble acid (edetic acid), ion exchange resin, water CIPLA LIMITED (IN) 2010-08-10 — — US disclosed
US-20070191399-A1 Zaleplon synthesis CIPLA LIMITED (IN) 2007-08-16 — — US disclosed
US-20070191399-A1 Zaleplon synthesis CIPLA LIMITED (IN) 2007-08-16 — — US disclosed
WO-2005023813-A1 ZALEPLON SYNTHESIS CIPLA LIMITED (IN) 2005-03-17 — — WO disclosed
WO-2005023813-A1 ZALEPLON SYNTHESIS CIPLA LIMITED (IN) 2005-03-17 — — WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 — — 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-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 MAPT 1996/4885ALDH1A1 1913/4885HTT 660/4885

“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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