SCHEMBL1996753

SCHEMBL1996753

CCOC(=O)Cc1nc(N2CCN(C)CC2)cc2ccc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.43
MCHR1 Q99705 1/20 0.43
SLC6A4 P31645 7/20 0.42
HTR2A P28223 5/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
HTR2C P28335 4/20 0.41
OPRM1 P35372 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
CSF1R P07333 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL3004188 0.86 HTR3A (0.53) AKT1MEN1KMT2A
SCHEMBL12563577 0.85 MCHR1 (0.46) MCHR1TP53MAPTHRH4MEN1
SCHEMBL1989930 0.84 HTR3A (0.45) MCHR1TP53MAPTHRH4CSF1R
SCHEMBL1991125 0.82 HRH4 (0.55) SLC6A4HTR2ATP53MAPTHTR2C
SCHEMBL1992679 0.77 MEN1 (0.43) SLC6A4MAPTMEN1KMT2A
SCHEMBL3238492 0.75 SMN1; SMN2 (0.45) AKT1MAPTHRH4MEN1KMT2A
SCHEMBL1993141 0.71 HRH4 (0.56) MAPTHRH4MEN1KMT2A
SCHEMBL1991700 0.69 HRH4 (0.71) MCHR1HRH4MEN1KMT2A
SCHEMBL15707935 0.69 MCHR1 (0.53) MCHR1SLC6A4HTR2ATP53MAPT
SCHEMBL1993736 0.69 ALDH1A1 (0.48) MAPTMEN1KMT2A

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 4 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
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 AKT1 3095/4885MCHR1 1461/4885SLC6A4 286/4885

“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.