SCHEMBL1994914

SCHEMBL1994914

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.46
HTR3A P46098 3/20 0.45
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
PDE5A O76074 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
HTR6 P50406 1/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN9A Q15858 1/20 0.40
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL1993565 0.90 HRH4 (0.46) HRH4HTR3AALDH1A1KDM4EHTT
SCHEMBL1996128 0.88 HRH4 (0.46) HRH4HTR3AALDH1A1KDM4EHTT
SCHEMBL1995750 0.85 TRPV4 (0.41) HRH4HTR3AALDH1A1KDM4EHTT
SCHEMBL1991360 0.78 HRH4 (0.51) HRH4HTR3AALDH1A1KDM4ECTNNB1
SCHEMBL1994195 0.77 HRH4 (0.57) HRH4HTR3AALDH1A1KDM4EHTT
SCHEMBL1990553 0.74 ADRA1A (0.45) HRH4HTR3AALDH1A1HTR6
SCHEMBL2031142 0.74 HRH4 (0.54) HRH4HTR3AALDH1A1MAPTKMT2A
SCHEMBL1993681 0.72 HRH4 (0.61) HRH4HTR3AALDH1A1KDM4EHTT
SCHEMBL1990169 0.72 HRH4 (0.47) HRH4HTR6KMT2A
SCHEMBL1996846 0.70 HRH4 (0.42) HRH4KDM4EKMT2A

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 2 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
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 1075/4885ALDH1A1 297/4885

“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.