SCHEMBL4890831

SCHEMBL4890831

NCCCCCCC(Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.64
ITGB3 P05106 4/20 0.60
ITGA2B P08514 4/20 0.60
ECE1 P42892 1/20 0.55
SIRT2 Q8IXJ6 2/20 0.51
SIRT1 Q96EB6 2/20 0.51
SIRT3 Q9NTG7 2/20 0.51
TLR2 O60603 2/20 0.49
CTSL P07711 2/20 0.49
DPP4 P27487 1/20 0.48
TACR1 P25103 2/20 0.48
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TPSAB1 Q15661 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 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
SCHEMBL10773754 0.88 CTRB1 (0.54) CTRB1ITGB3ITGA2BECE1SIRT2
SCHEMBL11668895 0.88 CTRB1 (0.54) CTRB1ITGB3ITGA2BECE1SIRT2
SCHEMBL19345761 0.87 CTRB1 (0.53) CTRB1ITGB3ITGA2BECE1SIRT2
SCHEMBL19386326 0.85 CTRB1 (0.57) CTRB1ITGB3ITGA2BECE1SIRT2
SCHEMBL19345755 0.84 CTRB1 (0.50) CTRB1ITGB3ITGA2BECE1SIRT2
SCHEMBL6318717 0.84 CTRB1 (0.74) CTRB1ITGB3ITGA2BCTSLTACR1
SCHEMBL6318726 0.84 CTRB1 (0.74) CTRB1ITGB3ITGA2BCTSLTACR1
SCHEMBL6320787 0.84 CTRB1 (0.74) CTRB1ITGB3ITGA2BCTSLTACR1
SCHEMBL2076256 0.83 CTRB1 (0.56) CTRB1ITGB3ITGA2BECE1CTSL
SCHEMBL7063901 0.83 CTRB1 (0.54) CTRB1ITGB3ITGA2BPRSS1PRSS2

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-7402673-B2 Diamine β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-07-22 US disclosed
US-20080039495-A1 Diamine Beta2 Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-02-14 US disclosed
EP-1751086-A2 DIAMINE ß2 ADRENERGIC RECEPTOR AGONISTS Theravance, Inc. (US) 2007-02-14 EP disclosed
WO-2005121065-A2 DIAMINE β2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-12-22 WO disclosed
US-20050272769-A1 Diamine beta2 adrenergic receptor agonists THERAVANCE, INC. (US) 2005-12-08 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-20050272769-A1 Diamine beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRA2C CTRB1 2976/4885ITGB3 1027/4885ITGA2B 865/4885
US-20080039495-A1 Diamine Beta2 Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2C CTRB1 2976/4885ITGB3 1027/4885ITGA2B 865/4885

“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.