SCHEMBL1993947

SCHEMBL1993947

CN1CCN(c2nc(CC(N)=O)c3ccc(F)cc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCD Q05655 1/20 0.45
CTNNB1 P35222 1/20 0.44
TCF7L2 Q9NQB0 1/20 0.44
HRH4 Q9H3N8 6/20 0.42
GRM2 Q14416 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
CSF1R P07333 1/20 0.42
HTR6 P50406 6/20 0.42
HTR1A P08908 4/20 0.42
DRD2 P14416 4/20 0.42
HTR2A P28223 4/20 0.42
HTR7 P34969 3/20 0.42
HTR3A P46098 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL1990872 0.87 TRPV4 (0.45) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL1994108 0.84 TLR9 (0.42) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL1993681 0.83 HRH4 (0.61) HRH4HTR3AALDH1A1KDM4EGLA
SCHEMBL1991360 0.81 HRH4 (0.51) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL1993409 0.81 HRH4 (0.50) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL1995226 0.81 LATS1 (0.45) HRH4HTR6HTR3AALDH1A1KDM4E
SCHEMBL1991112 0.80 HRH4 (0.65) HRH4HTR3AALDH1A1KDM4E
SCHEMBL1989930 0.78 HTR3A (0.45) HRH4CSF1RHTR3AALDH1A1L3MBTL1
SCHEMBL1998966 0.78 EHMT1 (0.51) HRH4HTR6HTR3AALDH1A1KDM4E

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 PRKCB 3335/4885PRKCA 3438/4885PRKCH 3138/4885

“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.