SCHEMBL1990872

SCHEMBL1990872

COC(=O)Cc1nc(N2CCN(C)CC2)nc2cc(F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.45
CTNNB1 P35222 2/20 0.45
TCF7L2 Q9NQB0 2/20 0.45
PRKCB P05771 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCD Q05655 1/20 0.44
HRH4 Q9H3N8 5/20 0.43
EHMT2 Q96KQ7 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN9A Q15858 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 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
SCHEMBL1994108 0.89 TLR9 (0.42) TRPV4CTNNB1TCF7L2PRKCBPRKCA
SCHEMBL1993947 0.87 PRKCB (0.45) TRPV4CTNNB1TCF7L2PRKCBPRKCA
SCHEMBL1991125 0.81 HRH4 (0.55) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL1991360 0.80 HRH4 (0.51) CTNNB1TCF7L2PRKCBPRKCAPRKCH
SCHEMBL1996128 0.78 HRH4 (0.46) TRPV4CTNNB1TCF7L2HRH4EHMT2
SCHEMBL1990158 0.78 HRH4 (0.49) CTNNB1TCF7L2PRKCBPRKCAPRKCH
SCHEMBL5789021 0.74 HRH4 (0.54) TRPV4PRKCBPRKCAPRKCHPRKCE
SCHEMBL1993141 0.72 HRH4 (0.56) CTNNB1TCF7L2HRH4L3MBTL1MAPT
SCHEMBL1994327 0.72 HRH4 (0.54) HRH4L3MBTL1TP53MEN1KMT2A
SCHEMBL1996973 0.71 HRH4 (0.48) HRH4MEN1KMT2A

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 TRPV4 241/4885CTNNB1 3355/4885TCF7L2 2882/4885

“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.