SCHEMBL4270846

SCHEMBL4270846

CCCCCN(CO)CCSc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
SLC2A1 P11166 1/20 0.41
DRD2 P14416 2/20 0.40
OPRM1 P35372 2/20 0.40
DRD3 P35462 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
ICMT O60725 1/20 0.40
ALB P02768 1/20 0.40
FDPS P14324 2/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
PLK1 P53350 1/20 0.37

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
SCHEMBL7061665 0.76 SLC2A1 (0.56) KCNH2ALDH1A1MAPK1SLC2A1OPRM1
SCHEMBL2860864 0.75 ALDH1A1 (0.61) ALDH1A1MAPK1THRATHRBPLK1
Hydrochloric Acid SCHEMBL11535429 0.74 SLC2A1 (0.55) KCNH2ALDH1A1MAPK1SLC2A1OPRM1
SCHEMBL17346125 0.74 SLC2A1 (0.51) KCNH2ALDH1A1MAPK1SLC2A1DRD2
SCHEMBL5694452 0.74 ALDH1A1 (0.58) ALDH1A1MAPK1THRATHRBPLK1
SCHEMBL8487585 0.74 ALDH1A1 (0.58) ALDH1A1MAPK1THRATHRBPLK1
SCHEMBL2792353 0.74 ALDH1A1 (0.58) ALDH1A1MAPK1THRATHRBPLK1
SCHEMBL8484849 0.74 ALDH1A1 (0.58) ALDH1A1MAPK1THRATHRBPLK1
SCHEMBL15271204 0.74 ALDH1A1 (0.58) ALDH1A1MAPK1THRATHRBPLK1
SCHEMBL58281 0.74 ALDH1A1 (0.58) ALDH1A1MAPK1THRATHRBPLK1

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
EP-2250159-B1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA INC (US) 2011-12-07 EP claimed
US-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES RYCARMA THERAPEUTICS, INC. 2009-09-10 US claimed
US-9573914-B2 Process for preparing benzothiazepines from gamma-aminoalkylbenzenes LES LABORATOIRES SERVIER (FR) 2017-02-21 US disclosed
US-8618282-B2 Process for preparing benzothiazepines from gamma-aminoalkylbenzenes LES LABORATOIRES SERVIER (FR) 2013-12-31 US disclosed
US-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES RYCARMA THERAPEUTICS, INC. 2009-09-10 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-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES TPMT, SULT2A1, KCNJ2 KCNH2 103/4885ALDH1A1 57/4885MAPK1 4658/4885

“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.