SCHEMBL1990553

SCHEMBL1990553

COc1cccc2nc(N3CCN(C)CC3)nc(CC(N)=O)c12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.45
ADRA1B P35368 3/20 0.45
HTR6 P50406 3/20 0.44
HRH4 Q9H3N8 3/20 0.43
HTR3A P46098 1/20 0.43
EZH2 Q15910 1/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1990169 0.86 HRH4 (0.47) ADRA1AADRA1BHTR6HRH4EZH2
SCHEMBL1994195 0.85 HRH4 (0.57) HTR6HRH4HTR3AHTR1ADRD2
SCHEMBL1993565 0.84 HRH4 (0.46) HTR6HRH4HTR3AHTR1ADRD2
SCHEMBL1993681 0.79 HRH4 (0.61) HRH4HTR3AALDH1A1
SCHEMBL2001802 0.76 HRH4 (0.50) HTR6HRH4HTR3AHTR1ADRD2
SCHEMBL1996128 0.76 HRH4 (0.46) HTR6HRH4HTR3AALDH1A1
SCHEMBL1998966 0.76 EHMT1 (0.51) HTR6HRH4HTR3AALDH1A1POLB
SCHEMBL1995864 0.75 PIK3R1 (0.43) HTR6HRH4HTR3AALDH1A1
SCHEMBL1994914 0.74 HRH4 (0.46) HTR6HRH4HTR3AALDH1A1
SCHEMBL2031142 0.74 HRH4 (0.54) HRH4HTR3AHTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US 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 (1 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO ADRA1A 272/4885ADRA1B 206/4885HTR6 368/4885

“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.