SCHEMBL1991871

SCHEMBL1991871

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
RECQL P46063 1/20 0.46
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
NR2F2 P24468 1/20 0.39
HTT P42858 1/20 0.39
SLC6A4 P31645 8/20 0.39
HTR2A P28223 4/20 0.38
HTR2C P28335 3/20 0.38
DTYMK P23919 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL1990746 0.86 RECQL (0.52) RECQLALDH1A1SMN1; SMN2SLC6A4HTR2A
SCHEMBL1993899 0.83 L3MBTL1 (0.48) L3MBTL1RECQLALDH1A1SMN1; SMN2CHRM2
SCHEMBL1992641 0.82 RECQL (0.52) L3MBTL1RECQLALDH1A1SMN1; SMN2SLC6A4
SCHEMBL1994908 0.80 L3MBTL1 (0.50) L3MBTL1RECQLALDH1A1SMN1; SMN2CHRM2
SCHEMBL2002226 0.79 L3MBTL1 (0.50) L3MBTL1RECQLALDH1A1SMN1; SMN2CHRM2
SCHEMBL1991434 0.77 L3MBTL1 (0.44) L3MBTL1RECQLALDH1A1SMN1; SMN2CHRM2
SCHEMBL1991437 0.77 L3MBTL1 (0.44) L3MBTL1RECQLALDH1A1SMN1; SMN2CHRM2
SCHEMBL1996881 0.76 L3MBTL1 (0.48) L3MBTL1RECQLALDH1A1SMN1; SMN2CHRM2
SCHEMBL31323712 0.71 CYP11B2 (0.47) L3MBTL1ALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL1995091 0.71 AKR1B1 (0.36) SMN1; SMN2CNR2LMNAHTR2AHTR2C

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 L3MBTL1 3898/4885RECQL 3604/4885ALDH1A1 297/4885

“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.