SCHEMBL1927488

SCHEMBL1927488

CN1CCC(Oc2ccccc2Br)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.51
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
SSTR1 P30872 1/20 0.46
SSTR4 P31391 1/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL1929245 0.92 SMN1; SMN2 (0.51) UTS2RSSTR1SSTR4CHRM4CHRM5
SCHEMBL14578204 0.83 HTR2C (0.53) HTR2CHTR2BNOS3NOS1NOS2
SCHEMBL1926949 0.81 HRH3 (0.43)
SCHEMBL1926800 0.81 ALDH1A1 (0.46) UTS2RCHRM4CHRM5CHRM1CHRM3
SCHEMBL10260935 0.81 PDE10A (0.51) HTR2CHTR2BNOS3NOS1NOS2
SCHEMBL10260949 0.81 PDE10A (0.51) HTR2CHTR2BNOS3NOS1NOS2
SCHEMBL15062004 0.81 PDE10A (0.51) HTR2CHTR2BNOS3NOS1NOS2
SCHEMBL1928080 0.81 SCD (0.37) UTS2RSSTR1SSTR4CHRM4CHRM5
SCHEMBL1926914 0.80 LMNA (0.42) UTS2RSSTR1SSTR4
SCHEMBL15651062 0.80 NOS3 (0.52) HTR2CHTR2BNOS3NOS1NOS2

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 UTS2R 553/4885HTR2C 186/4885HTR2B 201/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 UTS2R 778/4885HTR2C 284/4885HTR2B 555/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 UTS2R 553/4885HTR2C 186/4885HTR2B 201/4885

“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.