SCHEMBL21095155

SCHEMBL21095155

COc1cccc(CCc2ccccc2OC[C@@H](O)CN2CCOC2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.62
HTR2A P28223 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.58
ABCB1 P08183 15/20 0.54
DRD2 P14416 3/20 0.53
HTR1A P08908 2/20 0.53
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51

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
SCHEMBL21095154 1.00 CYP2D6 (0.62) CYP2D6HTR2AL3MBTL1ABCB1DRD2
SCHEMBL21095151 1.00 CYP2D6 (0.62) CYP2D6HTR2AL3MBTL1ABCB1DRD2
SCHEMBL21094969 0.94 L3MBTL1 (0.66) CYP2D6HTR2AL3MBTL1ABCB1DRD2
SCHEMBL21095145 0.94 L3MBTL1 (0.66) CYP2D6HTR2AL3MBTL1ABCB1DRD2
SCHEMBL21095146 0.94 L3MBTL1 (0.66) CYP2D6HTR2AL3MBTL1ABCB1DRD2
SCHEMBL23693979 0.89 ABCB1 (0.56) CYP2D6L3MBTL1ABCB1ADRB2ADRB1
SCHEMBL23693974 0.89 ABCB1 (0.56) CYP2D6L3MBTL1ABCB1ADRB2ADRB1
SCHEMBL23693975 0.89 ABCB1 (0.56) CYP2D6L3MBTL1ABCB1ADRB2ADRB1
SCHEMBL21792707 0.87 ADRB2 (0.53) L3MBTL1ABCB1ADRB2ADRB1ADRB3
SCHEMBL21095148 0.87 CYP2D6 (0.67) CYP2D6HTR2AABCB1DRD2HTR1A

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
US-20210228508-A1 COMPOSITIONS AND METHODS THEREOF Exciva GmbH 2021-07-29 US disclosed
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 US disclosed
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 (3 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-20210228508-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP2C19, CYP2F1 CYP2D6 7/4885HTR2A 1705/4885L3MBTL1 4523/4885
US-20190183885-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP11B2, CYP2D6 CYP2D6 3/4885HTR2A 2171/4885L3MBTL1 4471/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A CYP2D6 17/4885HTR2A 2/4885L3MBTL1 4391/4885

“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.