SCHEMBL13622688

SCHEMBL13622688

C=C(C)C(=O)Nc1cc(NC(C)=O)ccc1NCC1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
CREBBP Q92793 1/20 0.43
MAPT P10636 1/20 0.41
BRD4 O60885 2/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK14 Q16539 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
JAK3 P52333 1/20 0.36
CHRM4 P08173 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KCNH3 Q9ULD8 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL13622872 0.88 CREBBP (0.42) CREBBPMAPTBRD4CYP1A2CYP2C19
SCHEMBL1608768 0.85 CREBBP (0.44) L3MBTL1CREBBPMAPTBRD4CYP1A2
SCHEMBL1609240 0.83 CNR2 (0.44) CREBBPMAPTBRD4CYP1A2CYP2C19
SCHEMBL1609124 0.81 PTGER4 (0.48) CREBBPMAPTBRD4CYP1A2CYP2C19
SCHEMBL14116543 0.80 HTT (0.44) CREBBPMAPTBRD4CYP1A2CYP2C19
SCHEMBL1609171 0.79 HTT (0.58) POLBL3MBTL1MAPTCYP1A2CYP2C19
SCHEMBL13804940 0.72 CNR1 (0.42) POLBL3MBTL1MAPTBRD4TDP1
SCHEMBL5881733 0.72 PTGER4 (0.56) L3MBTL1CYP1A2CYP2C19NPSR1TDP1
SCHEMBL18406296 0.72 HTT (0.48) L3MBTL1MAPTCYP1A2CYP2C19TDP1
SCHEMBL10048290 0.71 MAPK14 (0.39) CYP1A2CYP2C19NPSR1MAPK14PIK3C3

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-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 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-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management OPRM1, OPRL1, OPRK1 POLB 4612/4885L3MBTL1 1916/4885RECQL 941/4885

“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.