SCHEMBL19912759

SCHEMBL19912759

COc1cccc(CCc2ccccc2OCC(O)CN2CCNCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.64
HTR2A P28223 2/20 0.64
ABCB1 P08183 13/20 0.56
HTR1A P08908 2/20 0.55
DRD2 P14416 2/20 0.55
POLB P06746 1/20 0.53
GAA P10253 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
SCHEMBL19912755 1.00 CYP2D6 (0.64) CYP2D6HTR2AABCB1HTR1ADRD2
SCHEMBL19912757 1.00 CYP2D6 (0.64) CYP2D6HTR2AABCB1HTR1ADRD2
SCHEMBL21095605 0.94 CYP2D6 (0.64) CYP2D6HTR2AABCB1HTR1ADRD2
SCHEMBL21095153 0.94 CYP2D6 (0.64) CYP2D6HTR2AABCB1HTR1ADRD2
SCHEMBL21095604 0.94 CYP2D6 (0.64) CYP2D6HTR2AABCB1HTR1ADRD2
SCHEMBL21095148 0.91 CYP2D6 (0.67) CYP2D6HTR2AABCB1HTR1ADRD2
SCHEMBL21095017 0.91 CYP2D6 (0.67) CYP2D6HTR2AABCB1HTR1ADRD2
SCHEMBL21095150 0.91 CYP2D6 (0.67) CYP2D6HTR2AABCB1HTR1ADRD2
SCHEMBL19912845 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 5 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
WO-2018039642-A1 COMPOSITIONS AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-03-01 WO 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 CYP2D6 9/4885HTR2A 1/4885ABCB1 50/4885
US-20210228508-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP2C19, CYP2F1 CYP2D6 7/4885HTR2A 1705/4885ABCB1 98/4885
US-20190183885-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP11B2, CYP2D6 CYP2D6 3/4885HTR2A 2171/4885ABCB1 105/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A CYP2D6 17/4885HTR2A 2/4885ABCB1 59/4885

“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.