SCHEMBL1995750

SCHEMBL1995750

CN1CCN(c2nc(CC(=O)OC(C)(C)C)c3c(F)cccc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.41
HRH4 Q9H3N8 7/20 0.41
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HTR3A P46098 2/20 0.38
HTR6 P50406 2/20 0.37
SCN9A Q15858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL1996128 0.89 HRH4 (0.46) TRPV4HRH4HTR3AHTR6SCN9A
SCHEMBL1994914 0.85 HRH4 (0.46) TRPV4HRH4HTR3AHTR6SCN9A
SCHEMBL1993565 0.84 HRH4 (0.46) TRPV4HRH4HTR3AHTR6KDM4E
SCHEMBL1994170 0.82 KMT2A (0.42) HRH4
SCHEMBL1994168 0.82 KMT2A (0.42) HRH4
SCHEMBL1994108 0.80 TLR9 (0.42) TRPV4HRH4TLR9TLR7HTR6
SCHEMBL1997802 0.78 MTNR1A (0.35) KDM4EALDH1A1
SCHEMBL2031142 0.76 HRH4 (0.54) HRH4HTR3AALDH1A1HTR2A
SCHEMBL1990169 0.73 HRH4 (0.47) HRH4HTR6
SCHEMBL1994195 0.72 HRH4 (0.57) HRH4HTR3AHTR6KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
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 TRPV4 241/4885HRH4 249/4885TLR9 2106/4885

“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.