SCHEMBL1928720

SCHEMBL1928720

CC(C)N1CCC(Oc2ccc(F)cc2Br)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.43
HRH3 Q9Y5N1 6/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SCD O00767 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37

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
SCHEMBL1927682 0.90 SCD (0.47) SLC6A4HRH3SCD
SCHEMBL1926962 0.85 HRH3 (0.45) SLC6A4HRH3HTR2CHTR2BCNR1
SCHEMBL1927036 0.84 SLC6A4 (0.47) SLC6A4HRH3HTR2CHTR2B
SCHEMBL1928320 0.84 HRH3 (0.44) HRH3
SCHEMBL1928840 0.84 SCD (0.48) HRH3SCDCNR1CNR2
SCHEMBL1928933 0.84 LIPG (0.43) SLC6A4HRH3HTR2BSCDCNR2
SCHEMBL1926949 0.83 HRH3 (0.43) SLC6A4HRH3SCD
SCHEMBL15062019 0.83 HRH3 (0.45) SLC6A4HRH3HTR2CHTR2BSCD
SCHEMBL15062012 0.83 HRH3 (0.45) SLC6A4HRH3HTR2CHTR2BSCD
SCHEMBL17955442 0.82 SLC6A4 (0.43) SLC6A4HRH3HTR2CHTR2BSCD

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 SLC6A4 2060/4885HRH3 159/4885HTR2C 186/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 SLC6A4 2692/4885HRH3 1028/4885HTR2C 284/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 SLC6A4 2060/4885HRH3 159/4885HTR2C 186/4885

“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.