SCHEMBL13622872

SCHEMBL13622872

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.42
BRD4 O60885 2/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK14 Q16539 1/20 0.37
EPHX2 P34913 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
CHRM4 P08173 1/20 0.35
KCNH3 Q9ULD8 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
SCHEMBL13622688 0.88 POLB (0.46) CREBBPBRD4MAPTCYP1A2CYP2C19
SCHEMBL1608768 0.84 CREBBP (0.44) CREBBPBRD4MAPTCYP1A2CYP2C19
SCHEMBL1609240 0.82 CNR2 (0.44) CREBBPBRD4MAPTCYP1A2CYP2C19
SCHEMBL1609124 0.81 PTGER4 (0.48) CREBBPBRD4MAPTCYP1A2CYP2C19
SCHEMBL14116543 0.79 HTT (0.44) CREBBPBRD4MAPTCYP1A2CYP2C19
SCHEMBL1609171 0.78 HTT (0.58) MAPTCYP1A2CYP2C19NPSR1
SCHEMBL5881733 0.71 PTGER4 (0.56) CYP1A2CYP2C19NPSR1MAPK14PIK3C3
SCHEMBL18406296 0.71 HTT (0.48) MAPTCYP1A2CYP2C19MAPK14PIK3C3
SCHEMBL10048290 0.70 MAPK14 (0.39) CYP1A2CYP2C19NPSR1MAPK14PIK3C3
SCHEMBL3995887 0.70 CREBBP (0.43) CREBBPMAPTCYP1A2CYP2C19

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 CREBBP 1782/4885BRD4 1851/4885MAPT 3307/4885

“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.