SCHEMBL6094099

SCHEMBL6094099

CCS(=O)(=O)NCCOc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.39
EHMT2 Q96KQ7 3/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CD38 P28907 1/20 0.33
BUB1 O43683 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1A Q13627 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL6093576 0.92 HTR2C (0.38) HTR2CEHMT2KDM4EALDH1A1BUB1
SCHEMBL8251851 0.85 HTR2C (0.43) HTR2CBUB1CLK2CLK3DYRK1A
SCHEMBL6092473 0.84 EHMT2 (0.38) HTR2CEHMT2KDM4EALDH1A1CD38
SCHEMBL6094117 0.84 HTR2C (0.36) HTR2CKDM4EALDH1A1CLK2CLK3
SCHEMBL8584124 0.82 KMT2A (0.45) HTR2CKDM4EALDH1A1
SCHEMBL6094209 0.81 CFTR (0.40) ALDH1A1ROCK2ROCK1
SCHEMBL6094319 0.80 HTR2C (0.40) HTR2CCD38BUB1CLK2DYRK1A
SCHEMBL6092478 0.79 TP53 (0.39) KDM4EALDH1A1ROCK2ROCK1
SCHEMBL6091806 0.79 HTR2C (0.53) HTR2CBUB1
SCHEMBL6092499 0.79 HTR2C (0.53) HTR2CBUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109351-B1 Fused pyrrolecarboxamides; GABA brain receptor ligands NEUROGEN CORPORATION (US) 2006-09-19 US disclosed
US-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands NEUROGEN CORPORATION 2005-01-20 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-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands GABRB2, GABRB1, GABRB3 HTR2C 227/4885EHMT2 3534/4885KDM4E 835/4885

“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.