Sugi Predict

Sugi Predict / Compounds / SCHEMBL1928080

SCHEMBL1928080

SCHEMBL1928080

Brc1ccccc1OC1CCN(C2CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 3/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ UTS2R Q9UKP6 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35

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
SCHEMBL1927488 0.81 UTS2R (0.51) UTS2RCHRM4CHRM5SSTR1SSTR4
SCHEMBL1929245 0.79 SMN1; SMN2 (0.51) HRH3UTS2RALDH1A1LMNACHRM4
SCHEMBL1926800 0.76 ALDH1A1 (0.46) SCDHRH3UTS2RALDH1A1LMNA
SCHEMBL1926949 0.76 HRH3 (0.43) SCDHRH3
SCHEMBL2404772 0.75 HRH1 (0.43) SCDALDH1A1LMNAHRH1KDM4E
SCHEMBL31652114 0.75 HRH1 (0.43) SCDALDH1A1LMNAHRH1KDM4E
SCHEMBL1926914 0.75 LMNA (0.42) UTS2RALDH1A1LMNASIGMAR1KDM4E
SCHEMBL3886322 0.74 MCHR1 (0.59) HRH3UTS2RALDH1A1KMT2ASMN1; SMN2
SCHEMBL1926850 0.72 KMT2A (0.44) LMNAHRH1KMT2ASLC6A2SLC6A3
SCHEMBL16333708 0.72 HRH1 (0.41) SCDLMNAHTR3EHTR3BCHRM4

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 3557/4885HRH3 159/4885UTS2R 553/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 SCD 3634/4885HRH3 1028/4885UTS2R 778/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 SCD 3557/4885HRH3 159/4885UTS2R 553/4885

“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.