SCHEMBL21094972

SCHEMBL21094972

COc1ccc(CCc2ccccc2OC[C@H]2CNCCO2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.67
HTR2A P28223 4/20 0.60
SLC6A4 P31645 4/20 0.60
SLC6A2 P23975 2/20 0.60
HTR2B P41595 2/20 0.60
SLC6A3 Q01959 2/20 0.60
ADRB2 P07550 1/20 0.60
HTR1A P08908 1/20 0.60
ADRA1A P35348 1/20 0.60
ABCB1 P08183 4/20 0.53
HRH1 P35367 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR3A P46098 1/20 0.48
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
DRD4 P21917 2/20 0.43
EPHA2 P29317 1/20 0.42

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
SCHEMBL21094977 1.00 ADRA2C (0.67) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
SCHEMBL21094973 1.00 ADRA2C (0.67) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
Hydrochloric Acid SCHEMBL27431798 0.89 ADRA2C (0.77) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
SCHEMBL21095168 0.88 ADRA2C (0.63) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
SCHEMBL9068239 0.88 ADRA2C (0.63) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
SCHEMBL21095173 0.88 ADRA2C (0.63) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
Hydrochloric Acid SCHEMBL8702425 0.87 ADRA2C (0.61) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
Hydrochloric Acid SCHEMBL8702658 0.87 ADRA2C (0.61) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
Hydrochloric Acid SCHEMBL8702416 0.87 ADRA2C (0.61) ADRA2CHTR2ASLC6A4SLC6A2HTR2B
Hydrochloric Acid SCHEMBL8706186 0.87 SLC6A4 (0.63) ADRA2CHTR2ASLC6A4SLC6A2HTR2B

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 ADRA2C 18/4885HTR2A 1/4885SLC6A4 68/4885
US-20210228508-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP2C19, CYP2F1 ADRA2C 464/4885HTR2A 1705/4885SLC6A4 601/4885
US-20190183885-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP11B2, CYP2D6 ADRA2C 198/4885HTR2A 2171/4885SLC6A4 757/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A ADRA2C 21/4885HTR2A 2/4885SLC6A4 55/4885

“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.