SCHEMBL1929036

SCHEMBL1929036

CC(C)N1CCC(Oc2cc(C(F)(F)F)ccc2Br)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.41
LIPG Q9Y5X9 1/20 0.41
HTR2B P41595 2/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
DRD3 P35462 1/20 0.40
TEAD1 P28347 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
UTS2R Q9UKP6 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL1928933 0.90 LIPG (0.43) SCDLIPGHTR2BCHRM2HTR1A
SCHEMBL1927682 0.84 SCD (0.47) SCDHRH3SLC6A4
SCHEMBL1929020 0.80 MAPT (0.44) HRH3
SCHEMBL1928840 0.78 SCD (0.48) SCDHRH3UTS2RCNR1CNR2
SCHEMBL1926949 0.78 HRH3 (0.43) SCDHRH3SLC6A4
SCHEMBL1928720 0.76 SLC6A4 (0.43) SCDHTR2BHRH3HTR2CSLC6A4
SCHEMBL1926962 0.74 HRH3 (0.45) HTR2BHRH3HTR2CSLC6A4CNR1
SCHEMBL1928320 0.73 HRH3 (0.44) HRH3
SCHEMBL1927036 0.73 SLC6A4 (0.47) HTR2BHRH3HTR2CSLC6A4
SCHEMBL18586990 0.72 SYK (0.51) SCDHTR2BHTR2CSLC6A4

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 SCD 3557/4885LIPG 4243/4885HTR2B 201/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 SCD 3634/4885LIPG 3994/4885HTR2B 555/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 SCD 3557/4885LIPG 4243/4885HTR2B 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.