SCHEMBL1929259

SCHEMBL1929259

CC(=O)Cc1ccc(OC2CCCCN(C)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.50
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
UTS2R Q9UKP6 1/20 0.43
HTT P42858 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL10839780 0.83 ACACB (0.51) ACACBPOLBGRM2
SCHEMBL13849586 0.82 ADRB2 (0.47) ACACBCTSLCTSBCTSSGRM2
SCHEMBL12310252 0.78 ADRB2 (0.45) ACACBCTSLCTSBCTSSCHRM5
SCHEMBL6647276 0.78 HRH1 (0.48) CHRM5CHRM1CHRM3HTTCYP2D6
SCHEMBL13846020 0.77 ADORA2A (0.46) ACACBCHRM5CHRM1CHRM3UTS2R
SCHEMBL18294088 0.77 ACACB (0.53) ACACBUTS2RMCHR1
SCHEMBL24244897 0.76 L3MBTL1 (0.53) CTSLCTSBCTSSHTTHDAC3
SCHEMBL4129194 0.76 HTT (0.49) CTSLCTSBCTSSHTTCYP2D6
SCHEMBL3532274 0.75 NAMPT (0.49) ACACBCTSLCTSBCTSSHTT
SCHEMBL13412909 0.74 THRA (0.55) ACACBFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO 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 (3 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 ACACB 1683/4885CTSL 2299/4885CTSB 1464/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 ACACB 1829/4885CTSL 2498/4885CTSB 1576/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 ACACB 1683/4885CTSL 2299/4885CTSB 1464/4885

“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.