SCHEMBL1310653

SCHEMBL1310653

CNC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.40
ADRB1 P08588 10/20 0.40
ADORA3 P0DMS8 1/20 0.37
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
ALDH1A1 P00352 1/20 0.35
ADRB3 P13945 1/20 0.34

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
SCHEMBL1310655 1.00 ADRB2 (0.40) ADRB2ADRB1ADORA3DRD2DRD1
SCHEMBL385179 0.91 ADRB2 (0.39) ADRB2ADRB1ADORA3DRD2DRD1
SCHEMBL5999450 0.91 ADRB2 (0.39) ADRB2ADRB1ADORA3DRD2DRD1
SCHEMBL18016231 0.89 ADRB2 (0.39) ADRB2ADRB1ADORA3DRD2DRD1
SCHEMBL776314 0.89 ADRB2 (0.39) ADRB2ADRB1ADORA3DRD2DRD1
SCHEMBL14617522 0.89 ADRB2 (0.39) ADRB2ADRB1ADORA3DRD2DRD1
SCHEMBL384325 0.89 ADRB2 (0.39) ADRB2ADRB1ADORA3DRD2DRD1
SCHEMBL3586934 0.89 ADRB2 (0.39) ADRB2ADRB1ADORA3DRD2DRD1
SCHEMBL3990604 0.85 ADRB2 (0.42) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL17979457 0.85 ADRB2 (0.49) ADRB2ADRB1DRD2DRD1DRD4

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-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 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-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, MRGPRX2 ADRB2 16/4885ADRB1 15/4885ADORA3 534/4885
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, HRH2 ADRB2 13/4885ADRB1 12/4885ADORA3 723/4885

“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.