SCHEMBL21094971

SCHEMBL21094971

COc1ccc(CCc2ccccc2OC[C@@H]2CNCCN2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
ABCB1 P08183 12/20 0.54
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.41
ADRA2C P18825 1/20 0.41
KCNH2 Q12809 1/20 0.40
CYP2D6 P10635 2/20 0.39
HTR2A P28223 2/20 0.39

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
SCHEMBL23693972 1.00 LTA4H (0.55) LTA4HABCB1CHRNB4CHRNA3HTR1A
SCHEMBL21094976 1.00 LTA4H (0.55) LTA4HABCB1CHRNB4CHRNA3HTR1A
SCHEMBL21095169 0.88 ABCB1 (0.59) ABCB1HTR1ADRD2CYP2D6HTR2A
SCHEMBL21095600 0.88 ABCB1 (0.59) ABCB1HTR1ADRD2CYP2D6HTR2A
SCHEMBL21095171 0.88 ABCB1 (0.59) ABCB1HTR1ADRD2CYP2D6HTR2A
SCHEMBL21094972 0.81 ADRA2C (0.67) ABCB1HTR1AADRA2CHTR2A
SCHEMBL21094973 0.81 ADRA2C (0.67) ABCB1HTR1AADRA2CHTR2A
SCHEMBL21094977 0.81 ADRA2C (0.67) ABCB1HTR1AADRA2CHTR2A
SCHEMBL21094967 0.80 ABCB1 (0.54) ABCB1HTR1ADRD2ABCG2KCNH2
SCHEMBL5558417 0.76 LTA4H (0.48) LTA4H

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 LTA4H 502/4885ABCB1 50/4885CHRNB4 364/4885
US-20210228508-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP2C19, CYP2F1 LTA4H 865/4885ABCB1 98/4885CHRNB4 2632/4885
US-20190183885-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP11B2, CYP2D6 LTA4H 1789/4885ABCB1 105/4885CHRNB4 3349/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A LTA4H 629/4885ABCB1 59/4885CHRNB4 268/4885

“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.