SCHEMBL1996128

SCHEMBL1996128

COC(=O)Cc1nc(N2CCN(C)CC2)nc2cccc(F)c12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.46
TRPV4 Q9HBA0 1/20 0.41
HTR3A P46098 3/20 0.40
PDE5A O76074 1/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
HTR6 P50406 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
SCN9A Q15858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 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
SCHEMBL1995750 0.89 TRPV4 (0.41) HRH4TRPV4HTR3AHTR6SCN9A
SCHEMBL1994914 0.88 HRH4 (0.46) HRH4TRPV4HTR3APDE5ACTNNB1
SCHEMBL1993565 0.87 HRH4 (0.46) HRH4TRPV4HTR3APDE5ACTNNB1
SCHEMBL1996846 0.81 HRH4 (0.42) HRH4KDM4E
SCHEMBL1996847 0.81 HRH4 (0.42) HRH4KDM4E
SCHEMBL2031142 0.78 HRH4 (0.54) HRH4HTR3AALDH1A1
SCHEMBL1990872 0.78 TRPV4 (0.45) HRH4TRPV4CTNNB1TCF7L2HTR6
SCHEMBL1990169 0.78 HRH4 (0.47) HRH4HTR6
SCHEMBL1990553 0.76 ADRA1A (0.45) HRH4HTR3AHTR6ALDH1A1
SCHEMBL1994195 0.74 HRH4 (0.57) HRH4HTR3APDE5AHTR6KDM4E

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 HRH4 249/4885TRPV4 241/4885HTR3A 1075/4885

“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.