SCHEMBL2002226

SCHEMBL2002226

CCOC(=O)Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
RECQL P46063 1/20 0.43
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCD Q05655 1/20 0.43
GPR119 Q8TDV5 3/20 0.42
BTK Q06187 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL1990506 0.88 CHRM2 (0.47) SMN1; SMN2CHRM2CHRM4CHRM1CHRM3
SCHEMBL1992571 0.87 SMN1; SMN2 (0.48) L3MBTL1SMN1; SMN2RECQLLMNAKDM4E
SCHEMBL1993899 0.85 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL1996881 0.84 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL1989753 0.83 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2RECQLKDM4EALDH1A1
SCHEMBL1989752 0.83 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2RECQLKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1990766 0.80 RECQL (0.51) L3MBTL1SMN1; SMN2RECQLPOLBKDM4E
Hydrochloric Acid SCHEMBL1990769 0.80 RECQL (0.51) L3MBTL1SMN1; SMN2RECQLPOLBKDM4E
SCHEMBL23914934 0.80 LMNA (0.51) SMN1; SMN2CHRM2CHRM1LMNAPRKCG
SCHEMBL1992150 0.79 SMN1; SMN2 (0.48) L3MBTL1SMN1; SMN2RECQLPOLBKDM4E

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 L3MBTL1 3898/4885SMN1; SMN2 2548/4885CHRM2 2837/4885

“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.