SCHEMBL1990506

SCHEMBL1990506

CC(C)(C)OC(=O)N1CCC(n2nc(CC(N)=O)c3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCD Q05655 1/20 0.46
GPR119 Q8TDV5 7/20 0.45
BTK Q06187 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
NR2F2 P24468 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CD O00329 1/20 0.42

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
SCHEMBL2002226 0.88 L3MBTL1 (0.50) CHRM2CHRM4CHRM1CHRM3PRKCG
SCHEMBL1992840 0.85 KDM4E (0.46) CHRM2CHRM4CHRM1CHRM3PRKCG
SCHEMBL1996095 0.83 PTGDR2 (0.42) BTK
SCHEMBL1989554 0.82 ADRA1A (0.47) CHRM2CHRM1LMNASMN1; SMN2OPRM1
SCHEMBL23914636 0.80 SMN1; SMN2 (0.50) CHRM2CHRM1PRKCGPRKCBPRKCA
SCHEMBL23914934 0.79 LMNA (0.51) CHRM2CHRM1PRKCGPRKCBPRKCA
SCHEMBL12564065 0.79 ABCB1 (0.43) PKM
SCHEMBL1991126 0.78 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL1991129 0.78 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3GPR119
Hydrochloric Acid SCHEMBL1991841 0.78 ABCB1 (0.43) PKM

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 5 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
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
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US 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 CHRM2 2837/4885CHRM4 3382/4885CHRM1 2727/4885

“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.