SCHEMBL1310985

SCHEMBL1310985

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.54
ADRB1 P08588 8/20 0.48
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
DRD2 P14416 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL1310988 1.00 ADRB2 (0.54) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL1316209 0.86 ADRB2 (0.53) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL384724 0.86 ADRB2 (0.53) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL28438008 0.86 ADRB2 (0.49) ADRB2ADRB1KDM4EMEN1LMNA
Formic Acid SCHEMBL14166036 0.83 ADRB2 (0.49) ADRB2ADRB1KDM4EMEN1LMNA
Acetic Acid SCHEMBL21314075 0.83 ADRB2 (0.49) ADRB2ADRB1KDM4EMEN1LMNA
Acetic Acid SCHEMBL382982 0.83 ADRB2 (0.49) ADRB2ADRB1KDM4EMEN1LMNA
Formic Acid SCHEMBL14166331 0.83 ADRB2 (0.49) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL20730372 0.82 ADRB2 (0.54) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL28441872 0.80 ADRB2 (0.53) ADRB2ADRB1KDM4EMEN1LMNA

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 6 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-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 WO disclosed
WO-2012168349-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 WO 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 15/4885KDM4E 3143/4885
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, HRH2 ADRB2 13/4885ADRB1 12/4885KDM4E 3465/4885

“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.