SCHEMBL21095169

SCHEMBL21095169

COc1cccc(CCc2ccccc2OCC2CNCCN2)c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 15/20 0.59
HTR1A P08908 4/20 0.59
DRD2 P14416 4/20 0.59
CYP2D6 P10635 2/20 0.49
HTR2A P28223 2/20 0.49

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
SCHEMBL21095600 1.00 ABCB1 (0.59) ABCB1HTR1ADRD2CYP2D6HTR2A
SCHEMBL21095171 1.00 ABCB1 (0.59) ABCB1HTR1ADRD2CYP2D6HTR2A
SCHEMBL23693972 0.88 LTA4H (0.55) ABCB1HTR1ADRD2CYP2D6HTR2A
SCHEMBL21094971 0.88 LTA4H (0.55) ABCB1HTR1ADRD2CYP2D6HTR2A
SCHEMBL21094976 0.88 LTA4H (0.55) ABCB1HTR1ADRD2CYP2D6HTR2A
SCHEMBL27402096 0.86 ABCB1 (0.60) ABCB1HTR1ADRD2CYP2D6HTR2A
SCHEMBL8703238 0.86 ABCB1 (0.60) ABCB1HTR1ADRD2
SCHEMBL8703231 0.86 ABCB1 (0.60) ABCB1HTR1ADRD2
Hydrochloric Acid SCHEMBL8703779 0.85 ABCB1 (0.59) ABCB1HTR1ADRD2
Hydrochloric Acid SCHEMBL8703399 0.85 ABCB1 (0.59) ABCB1HTR1ADRD2

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 ABCB1 105/4885HTR1A 2704/4885DRD2 206/4885

“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.