SCHEMBL10009259

SCHEMBL10009259

CCOC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc4ccccc4c4ccccc34)C[C@H]1C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CYP3A4 P08684 2/20 0.35
▸ CTSB P07858 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ ATG4B Q9Y4P1 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10009257 1.00 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4CTSB
Hydrochloric Acid SCHEMBL10008500 0.99 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4CTSB
Hydrochloric Acid SCHEMBL10008502 0.99 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13836175 0.93 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL12481332 0.93 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4CTSB
Hydrochloric Acid SCHEMBL13835816 0.93 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4CTSB
Hydrochloric Acid SCHEMBL12481092 0.93 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL16107213 0.92 ADRB3 (0.39) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL3066843 0.89 ADRB3 (0.51) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL9957912 0.89 ADRB3 (0.51) ADRB3ADRA2BADRA2CCYP3A4CTSB

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-20150119319-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2015-04-30 — — US disclosed
US-8937041-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2015-01-20 — — US disclosed
US-20120172291-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2012-07-05 — — 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 (2 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-20150119319-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 ADRB3 3516/4885ADRA2B 4329/4885ADRA2C 3375/4885
US-20120172291-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 ADRB3 3516/4885ADRA2B 4329/4885ADRA2C 3375/4885

“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.

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