SCHEMBL10005269

SCHEMBL10005269

COC(=O)Nc1cc([C@H](O)CN[C@H](C)Cc2ccc(O)cc2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 17/20 0.62
▸ ADRB1 P08588 6/20 0.62
▸ CYP3A4 P08684 5/20 0.62
▸ MAPK1 P28482 5/20 0.62
▸ ADRB3 P13945 4/20 0.62
▸ CYP2D6 P10635 3/20 0.62
▸ TSHR P16473 3/20 0.62
▸ DRD2 P14416 2/20 0.62
▸ SLC6A4 P31645 2/20 0.62
▸ ADRA1A P35348 2/20 0.62
▸ SLC6A3 Q01959 2/20 0.62
▸ CYP1A2 P05177 2/20 0.62
▸ PGR P06401 1/20 0.62
▸ PTGS2 P35354 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ DRD3 P35462 1/20 0.62
▸ CASP3 P42574 1/20 0.61
▸ CASP6 P55212 1/20 0.61
▸ HIF1A Q16665 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58

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
SCHEMBL13320073 0.93 ADRB2 (0.61) ADRB2ADRB1CYP3A4MAPK1ADRB3
SCHEMBL13898704 0.92 ADRB2 (0.74) ADRB2ADRB1CYP3A4MAPK1ADRB3
SCHEMBL13898911 0.91 ADRB2 (0.59) ADRB2ADRB1CYP3A4MAPK1ADRB3
SCHEMBL20420611 0.89 ADRB2 (0.64) ADRB2ADRB1CYP3A4MAPK1ADRB3
SCHEMBL3824204 0.89 ADRB2 (0.64) ADRB2ADRB1CYP3A4MAPK1ADRB3
SCHEMBL2672487 0.89 ADRB2 (0.67) ADRB2ADRB1CYP3A4MAPK1ADRB3
SCHEMBL11820636 0.87 ADRB2 (0.61) ADRB2ADRB1CYP3A4MAPK1ADRB3
SCHEMBL13906283 0.83 ADRB2 (0.74) ADRB2ADRB1CYP3A4MAPK1ADRB3
SCHEMBL16249283 0.83 ADRB2 (0.74) ADRB2ADRB1CYP3A4MAPK1ADRB3
SCHEMBL30254890 0.83 ADRB2 (0.74) ADRB2ADRB1CYP3A4MAPK1ADRB3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190813-B1 CARBAMATE STEREOISOMER SEPRACOR INC (US) 2013-07-31 — — EP disclosed
US-8173829-B2 Carbamate stereoisomer SUNOVION PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-8173829-B2 Carbamate stereoisomer SUNOVION PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-20100215589-A1 Carbamate Stereoisomer SEPRACOR INC. (US) 2010-08-26 — — US disclosed
US-20100215589-A1 Carbamate Stereoisomer SEPRACOR INC. (US) 2010-08-26 — — US disclosed
US-7718822-B2 Carbamate Stereoisomer SEPRACOR INC. (US) 2010-05-18 — — US disclosed
US-7718822-B2 Carbamate Stereoisomer SEPRACOR INC. (US) 2010-05-18 — — US disclosed
US-20090060917-A1 Carbamate Stereoisomer SEPRACOR INC. (US) 2009-03-05 — — US disclosed
US-20090060917-A1 Carbamate Stereoisomer SEPRACOR INC. (US) 2009-03-05 — — US disclosed
WO-2009029717-A1 CARBAMATE STEREOISOMER SEPRACOR, INC. (US) 2009-03-05 — — 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 (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-20090060917-A1 Carbamate Stereoisomer ADRB2, CHRM3, CHRM2 ADRB2 1/4885ADRB1 4/4885CYP3A4 483/4885
US-20100215589-A1 Carbamate Stereoisomer ADRB2, CHRM3, CHRM2 ADRB2 1/4885ADRB1 4/4885CYP3A4 483/4885

“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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