SCHEMBL6540164

SCHEMBL6540164

N#Cc1cccc(Sc2ccc(CCN(C[C@H](O)c3cccc(Cl)c3)C(=O)O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.47
POLB P06746 1/20 0.38
ADRB1 P08588 9/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
ADRB2 P07550 1/20 0.35

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
SCHEMBL6540169 1.00 ADRB3 (0.47) ADRB3POLBADRB1CNR1CNR2
SCHEMBL6540174 1.00 ADRB3 (0.47) ADRB3POLBADRB1CNR1CNR2
SCHEMBL6540547 0.94 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL6540552 0.94 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL6540543 0.94 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL4463530 0.86 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL4463534 0.86 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL6804730 0.83 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL6804724 0.83 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL6541722 0.83 CNR1 (0.40) ADRB3ADRB1CNR1CNR2

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 ADRB3 58/4885POLB 1231/4885ADRB1 7/4885

“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.