SCHEMBL2001802

SCHEMBL2001802

CN1CCN(c2nc(CC(N)=O)c3ncccc3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.50
HTR3A P46098 3/20 0.45
HTR6 P50406 3/20 0.42
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CHIA Q9BZP6 1/20 0.40
TNIK Q9UKE5 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
PDE5A O76074 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL1991149 0.84 HRH4 (0.46) HRH4HTR3AHTR6KDM4EHTT
SCHEMBL1993681 0.82 HRH4 (0.61) HRH4HTR3AKDM4EHTTGLA
SCHEMBL1994195 0.79 HRH4 (0.57) HRH4HTR3AHTR6KDM4EHTT
SCHEMBL1993565 0.78 HRH4 (0.46) HRH4HTR3AHTR6KDM4EHTT
SCHEMBL1995864 0.77 PIK3R1 (0.43) HRH4HTR3AHTR6KDM4EHTT
SCHEMBL1995226 0.77 LATS1 (0.45) HRH4HTR3AHTR6KDM4EHTT
SCHEMBL1990553 0.76 ADRA1A (0.45) HRH4HTR3AHTR6ALDH1A1HTR1A
SCHEMBL1994137 0.74 HRH4 (0.50) HRH4HTR3AHTR6KDM4EHTT
SCHEMBL1993409 0.74 HRH4 (0.50) HRH4HTR3AKDM4EHTTGLA
SCHEMBL1990158 0.74 HRH4 (0.49) HRH4HTR3AHTR6KDM4EHTT

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 HRH4 249/4885HTR3A 1075/4885HTR6 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.