SCHEMBL6875293

SCHEMBL6875293

Cc1c(F)ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N(C)C)C(=O)N4C3)cc(OC(C)C)nc12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ CYP3A4 P08684 2/20 0.45
▸ CTSS P25774 1/20 0.40
▸ CTSB P07858 1/20 0.36

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
SCHEMBL16495670 1.00 ADRB3 (0.48) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL6875223 1.00 ADRB3 (0.48) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL16495664 0.94 ADRB3 (0.49) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL16495667 0.94 ADRB3 (0.49) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL6879076 0.94 ADRB3 (0.49) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL16495509 0.94 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL6878914 0.94 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL16495510 0.94 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL6876793 0.94 ADRB3 (0.55) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL6875247 0.94 ADRB3 (0.55) ADRB3ADRA2BADRA2CCYP3A4CTSS

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-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 — — US disclosed
US-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 — — US disclosed
WO-2011063502-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 — — 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 (1 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-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS ABCC1, CTRC, HAVCR2 ADRB3 3371/4885ADRA2B 2756/4885ADRA2C 2210/4885

“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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