SCHEMBL5541281

SCHEMBL5541281

COc1ccc2[nH]c3c(c2c1)CCNC3CO

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.70
CHRM4 P08173 3/20 0.70
DRD2 P14416 3/20 0.70
HTR2B P41595 4/20 0.69
MAPT P10636 2/20 0.69
ALDH1A1 P00352 1/20 0.69
KMT2A Q03164 1/20 0.68
MAPKAPK2 P49137 3/20 0.65
MAPKAPK5 Q8IW41 1/20 0.65
HTR2C P28335 9/20 0.61
HTR2A P28223 8/20 0.61
HTR1A P08908 2/20 0.55
DRD4 P21917 2/20 0.55
HTR1D P28221 2/20 0.55
HTR1B P28222 2/20 0.55
HTR1E P28566 2/20 0.55
HTR5A P47898 2/20 0.55
HTR6 P50406 2/20 0.55
DRD3 P35462 1/20 0.55
HTR3A P46098 1/20 0.55

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
SCHEMBL31639048 0.90 HTR7 (0.67) HTR7CHRM4DRD2HTR2BMAPT
SCHEMBL14043228 0.89 HTR7 (0.71) HTR7CHRM4DRD2HTR2BMAPT
Bromide SCHEMBL6569631 0.88 HTR7 (0.70) HTR7CHRM4DRD2HTR2BMAPT
SCHEMBL6240399 0.88 HTR7 (0.70) HTR7CHRM4DRD2HTR2BMAPT
SCHEMBL8035748 0.86 KMT2A (0.76) HTR7CHRM4DRD2HTR2BMAPT
SCHEMBL6237686 0.86 KMT2A (0.76) HTR7CHRM4DRD2HTR2BMAPT
SCHEMBL23116691 0.85 HTR7 (0.67) HTR7CHRM4DRD2HTR2BMAPT
Hydrochloric Acid SCHEMBL6350788 0.85 KMT2A (0.77) HTR7CHRM4DRD2HTR2BMAPT
SCHEMBL6237647 0.84 HTR7 (0.66) HTR7CHRM4DRD2HTR2BMAPT
SCHEMBL5538606 0.83 HTR2A (0.62) HTR2BHTR2CHTR2AGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007147819-A1 3H,11H-OXAZOLO[3',4':1,2]PYRIDO[3,4-B]INDOLE DERIVATIVES AND THERAPEUTIC USE THEREOF FOURTILLAN (FR) 2007-12-27 WO disclosed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 US disclosed
WO-2005009370-A2 BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2005-02-03 WO 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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 HTR7 1500/4885CHRM4 2199/4885DRD2 1255/4885

“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.