SCHEMBL21095145

SCHEMBL21095145

COc1cccc(CCc2ccccc2OC[C@@H](O)CN2CCOCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.66
CYP2D6 P10635 2/20 0.64
HTR2A P28223 2/20 0.64
ABCB1 P08183 11/20 0.61
ADRB2 P07550 2/20 0.58
ADRB1 P08588 2/20 0.58
ADRB3 P13945 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTR1A P08908 1/20 0.55
DRD2 P14416 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
SCHEMBL21095146 1.00 L3MBTL1 (0.66) L3MBTL1CYP2D6HTR2AABCB1ADRB2
SCHEMBL21094969 1.00 L3MBTL1 (0.66) L3MBTL1CYP2D6HTR2AABCB1ADRB2
SCHEMBL21095154 0.94 CYP2D6 (0.62) L3MBTL1CYP2D6HTR2AABCB1ADRB2
SCHEMBL21095151 0.94 CYP2D6 (0.62) L3MBTL1CYP2D6HTR2AABCB1ADRB2
SCHEMBL21095155 0.94 CYP2D6 (0.62) L3MBTL1CYP2D6HTR2AABCB1ADRB2
SCHEMBL21095017 0.91 CYP2D6 (0.67) CYP2D6HTR2AABCB1SMN1; SMN2HTR1A
SCHEMBL21095148 0.91 CYP2D6 (0.67) CYP2D6HTR2AABCB1SMN1; SMN2HTR1A
SCHEMBL21095150 0.91 CYP2D6 (0.67) CYP2D6HTR2AABCB1SMN1; SMN2HTR1A
SCHEMBL21094968 0.90 CYP2D6 (0.66) CYP2D6HTR2AABCB1HTR1ADRD2
SCHEMBL21094966 0.90 CYP2D6 (0.66) CYP2D6HTR2AABCB1HTR1ADRD2

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 4 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-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 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 (4 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-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 L3MBTL1 4529/4885CYP2D6 9/4885HTR2A 1/4885
US-20210228508-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP2C19, CYP2F1 L3MBTL1 4523/4885CYP2D6 7/4885HTR2A 1705/4885
US-20190183885-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP11B2, CYP2D6 L3MBTL1 4471/4885CYP2D6 3/4885HTR2A 2171/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A L3MBTL1 4391/4885CYP2D6 17/4885HTR2A 2/4885

“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.