SCHEMBL1991360

SCHEMBL1991360

CN1CCN(c2nc(CC(=O)O)c3cc(F)ccc3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.51
TNKS O95271 1/20 0.48
PARP1 P09874 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCD Q05655 1/20 0.46
SCN9A Q15858 1/20 0.46
HTR3A P46098 5/20 0.45
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
IDO2 Q6ZQW0 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
MCHR1 Q99705 1/20 0.44

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
SCHEMBL1990158 0.91 HRH4 (0.49) HRH4TNKSPARP1TNKS2PRKCB
SCHEMBL1991125 0.87 HRH4 (0.55) HRH4TNKSPARP1TNKS2PRKCB
SCHEMBL1993947 0.81 PRKCB (0.45) HRH4PRKCBPRKCAPRKCHPRKCE
SCHEMBL12563577 0.81 MCHR1 (0.46) HRH4TNKSPARP1TNKS2HTR3A
SCHEMBL1990872 0.80 TRPV4 (0.45) HRH4PRKCBPRKCAPRKCHPRKCE
SCHEMBL1994914 0.78 HRH4 (0.46) HRH4SCN9AHTR3AKDM4EHSD17B10
SCHEMBL1993409 0.78 HRH4 (0.50) HRH4PRKCBPRKCAPRKCHPRKCE
SCHEMBL1994108 0.77 TLR9 (0.42) HRH4PRKCBPRKCAPRKCHPRKCE
SCHEMBL1991112 0.77 HRH4 (0.65) HRH4HTR3AKDM4EUSP2ALDH1A1
SCHEMBL1993141 0.75 HRH4 (0.56) HRH4KDM4EHSD17B10MAPTCTNNB1

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 249/4885TNKS 1393/4885PARP1 1163/4885

“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.