SCHEMBL10115591

SCHEMBL10115591

CC(=O)Nc1cc([C@@H](O)CN[C@H](C)CCCC(C)C)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.51
ADRB2 P07550 11/20 0.47
ADRB1 P08588 6/20 0.47
HSD17B10 Q99714 5/20 0.47
KDM4E B2RXH2 5/20 0.47
CYP1A2 P05177 5/20 0.47
CYP2D6 P10635 4/20 0.47
ADRA1A P35348 4/20 0.47
LMNA P02545 4/20 0.47
NFKB1 P19838 4/20 0.47
HIF1A Q16665 4/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1B P35368 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
DRD3 P35462 3/20 0.47
CYP2C19 P33261 3/20 0.47
ADRA2A P08913 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47

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
SCHEMBL2056257 0.91 ADRB2 (0.56) ADRB3ADRB2ADRB1HSD17B10KDM4E
SCHEMBL10115622 0.84 ADRB2 (0.62) ADRB3ADRB2ADRB1HSD17B10KDM4E
SCHEMBL2054514 0.83 ADRB2 (0.50) ADRB3ADRB2ADRB1HSD17B10KDM4E
SCHEMBL7152175 0.81 ADRB2 (0.61) ADRB3ADRB2ADRB1HSD17B10CYP1A2
SCHEMBL7152166 0.81 ADRB2 (0.61) ADRB3ADRB2ADRB1HSD17B10CYP1A2
SCHEMBL20420611 0.81 ADRB2 (0.64) ADRB3ADRB2ADRB1HSD17B10CYP1A2
SCHEMBL13906446 0.81 ADRB2 (0.61) ADRB3ADRB2ADRB1HSD17B10CYP1A2
SCHEMBL3824204 0.81 ADRB2 (0.64) ADRB3ADRB2ADRB1HSD17B10CYP1A2
SCHEMBL13897129 0.80 CYP3A4 (0.59) ADRB3ADRB2ADRB1HSD17B10CYP1A2
SCHEMBL10391023 0.79 KDM4E (0.62) ADRB3ADRB2ADRB1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288391-B2 Epithelial Sodium Channel and Acid Sensitive Ion Channel modulators; blocking or enhancing salt and sour tastes; additives in chocolate, ice cream, beverages, candies, or pet foods; side effect reduction PARION SCIENCES, INC. (US) 2012-10-16 US disclosed
US-8124607-B2 Poly aromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-08-27 US disclosed
US-20080293740-A1 METHOD OF TREATING ACID-SENSING ION CHANNEL MEDIATED PAIN, COUGH SUPPRESSION, AND CENTRAL NERVOUS SYSTEM DISORDERS PARION SCIENCES, INC. (US) 2008-11-27 US disclosed
US-20080249109-A1 PYRAZINOYLGUANIDINE COMPOUNDS FOR USE AS TASTE MODULATORS PARION SCIENCES, INC. (US) 2008-10-09 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 (3 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-20080249109-A1 PYRAZINOYLGUANIDINE COMPOUNDS FOR USE AS TASTE MODULATORS TAS2R5, TAS2R9, TAS2R19 ADRB3 1162/4885ADRB2 699/4885ADRB1 760/4885
US-20080293740-A1 METHOD OF TREATING ACID-SENSING ION CHANNEL MEDIATED PAIN, COUGH SUPPRESSION, AND CENTRAL NERVOUS SYSTEM DISORDERS ASIC1, ASIC3, TRPV1 ADRB3 1255/4885ADRB2 1149/4885ADRB1 993/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B ADRB3 107/4885ADRB2 104/4885ADRB1 114/4885

“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.