SCHEMBL1998943

SCHEMBL1998943

CCOC(=O)Cc1nn(CC2CCCN(C)C2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SLC6A4 P31645 10/20 0.41
HTR2A P28223 6/20 0.41
HTR2C P28335 4/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
ADRA1B P35368 1/20 0.41
CNR1 P21554 1/20 0.40
ACHE P22303 1/20 0.40
CNR2 P34972 1/20 0.40
GFER P55789 1/20 0.40
PADI4 Q9UM07 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL1991515 0.91 RECQL (0.55) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A
SCHEMBL1998303 0.89 RECQL (0.53) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A
SCHEMBL1996125 0.85 PADI4 (0.47) SLC6A4HTR2AHTR2CADRA1AHRH1
SCHEMBL1997265 0.84 RECQL (0.46) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A
SCHEMBL1997456 0.84 RECQL (0.55) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A
SCHEMBL1996759 0.83 RECQL (0.47) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A
SCHEMBL1996755 0.83 RECQL (0.47) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A
SCHEMBL1996758 0.83 RECQL (0.47) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A
SCHEMBL1991081 0.83 RECQL (0.49) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A
SCHEMBL1994342 0.82 RECQL (0.55) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A

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 RECQL 3604/4885SMN1; SMN2 2548/4885ALDH1A1 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.