SCHEMBL21095173

SCHEMBL21095173

COc1cccc(CCc2ccccc2OC[C@@H]2CNCCO2)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.63
ABCB1 P08183 15/20 0.58
HTR1A P08908 5/20 0.58
DRD2 P14416 4/20 0.58
ADRB2 P07550 1/20 0.57
SLC6A2 P23975 1/20 0.57
HTR2A P28223 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRA1A P35348 1/20 0.57
HTR2B P41595 1/20 0.57
SLC6A3 Q01959 1/20 0.57

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
SCHEMBL21095168 1.00 ADRA2C (0.63) ADRA2CABCB1HTR1ADRD2ADRB2
SCHEMBL9068239 1.00 ADRA2C (0.63) ADRA2CABCB1HTR1ADRD2ADRB2
Hydrochloric Acid SCHEMBL8702416 0.99 ADRA2C (0.61) ADRA2CABCB1HTR1ADRD2ADRB2
Hydrochloric Acid SCHEMBL8702658 0.99 ADRA2C (0.61) ADRA2CABCB1HTR1ADRD2ADRB2
Hydrochloric Acid SCHEMBL8702425 0.99 ADRA2C (0.61) ADRA2CABCB1HTR1ADRD2ADRB2
SCHEMBL21094972 0.88 ADRA2C (0.67) ADRA2CABCB1HTR1AADRB2SLC6A2
SCHEMBL21094977 0.88 ADRA2C (0.67) ADRA2CABCB1HTR1AADRB2SLC6A2
SCHEMBL21094973 0.88 ADRA2C (0.67) ADRA2CABCB1HTR1AADRB2SLC6A2
SCHEMBL4174576 0.86 ABCB1 (0.67) ABCB1HTR1ADRD2HTR2A
SCHEMBL21095162 0.86 ABCB1 (0.67) ABCB1HTR1ADRD2HTR2A

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-20190183885-A1 COMPOSITIONS AND METHODS THEREOF EXCIVA (UG) (haftungsbeschränkt) (DE) 2019-06-20 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-20190183885-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP11B2, CYP2D6 ADRA2C 198/4885ABCB1 105/4885HTR1A 2704/4885

“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.