SCHEMBL1609240

SCHEMBL1609240

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.44
CNR1 P21554 2/20 0.42
CREBBP Q92793 1/20 0.42
BRD4 O60885 3/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1608768 0.90 CREBBP (0.44) CNR2CNR1CREBBPBRD4MAPT
SCHEMBL14099544 0.89 CNR1 (0.43) CNR2CNR1CREBBPBRD4
SCHEMBL13622688 0.83 POLB (0.46) CREBBPBRD4MAPTCYP1A2CYP2C19
SCHEMBL13622872 0.82 CREBBP (0.42) CREBBPBRD4MAPTCYP1A2CYP2C19
SCHEMBL1609124 0.80 PTGER4 (0.48) CREBBPBRD4MAPTCYP1A2CYP2C19
SCHEMBL14116543 0.78 HTT (0.44) CREBBPBRD4MAPTMEN1KMT2A
SCHEMBL1609171 0.77 HTT (0.58) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL3995887 0.74 CREBBP (0.43) CNR2CNR1CREBBPMAPTCYP1A2
SCHEMBL5264091 0.73 CREBBP (0.58) CREBBPBRD4MEN1KMT2A
SCHEMBL4966160 0.72 KDM4E (0.53) MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
EP-2010526-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120101-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-10-25 WO disclosed
WO-2007120101-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-10-25 WO 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
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
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 (2 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-20110086853-A1 Therapeutic Compounds OPRL1, F12, F3 CNR2 187/4885CNR1 35/4885CREBBP 1246/4885
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 CNR2 13/4885CNR1 5/4885CREBBP 1782/4885

“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.