SCHEMBL342438

SCHEMBL342438

CCC(C)c1cc(C)c(N)c(C(C)CC)c1N

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RORC P51449 1/20 0.33
AR P10275 1/20 0.30

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
SCHEMBL30692102 0.78 KDM4E (0.37) TSHRALDH1A1USP2GAAPKM
SCHEMBL12808355 0.77 ALDH1A1 (0.34) TSHRALDH1A1USP2GAAPKM
SCHEMBL560581 0.75 TSHR (0.39) TSHRALDH1A1USP2GAAPKM
SCHEMBL11415140 0.75 TSHR (0.39) TSHRALDH1A1USP2GAAPKM
SCHEMBL2938448 0.72 CYP3A4 (0.36) TSHRALDH1A1GAATP53CYP3A4
SCHEMBL28877103 0.72 TSHR (0.41) TSHRALDH1A1USP2GAAPKM
SCHEMBL10341214 0.72 ALDH1A1 (0.36) ALDH1A1USP2GAAPKMHPGD
SCHEMBL10341247 0.72 TSHR (0.31) TSHRALDH1A1USP2GAAPKM
SCHEMBL31261129 0.71 ALDH1A1 (0.39) TSHRALDH1A1GAATP53CYP3A4
SCHEMBL118738 0.71 ALDH1A1 (0.39) TSHRALDH1A1GAATP53CYP3A4

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-03-17 US disclosed
US-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-10-03 US disclosed
US-10138220-B1 Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2018-11-27 US disclosed
US-9975875-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2018-05-22 US disclosed
US-20170362200-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity Theravance Respiratory Compa, LLC 2017-12-21 US disclosed
US-9771350-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2017-09-26 US disclosed
US-20170226082-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2017-08-10 US disclosed
EP-2414418-B1 COMPOSITION CURABLE IN TWO STAGES COMPRISING A SURFACE DEACTIVATED POLYISOCYANATE SIKA TECH AG (CH) 2017-08-09 EP disclosed
US-9011630-B2 Hot curing or heat-activated composition containing a surface-deactivated polyisocyanate SIKA TECHNOLOGIES AG (CH) 2015-04-21 US disclosed
US-8759455-B2 Two-stage curable composition containing a surface-deactivated polyisocyanate SIKA TECHNOLOGY AG (CH) 2014-06-24 US disclosed
EP-2236535-A1 Humidity curing polyurethane composition being accelerated by influence of heat Sika Technology AG (CH) 2010-10-06 EP disclosed
EP-2225298-A1 CURABLE COMPOSITIONS HAVING LESS VOLATILIZATION Sika Technology AG (CH) 2010-09-08 EP disclosed
WO-2010063741-A1 ALDIMINE AND COMPOSITION CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2010-06-10 WO disclosed
EP-2194082-A1 Aldimine and composition comprising aldimine Sika Technology AG (CH) 2010-06-09 EP disclosed
EP-2189484-A1 Polyurethane composition comprising organomethoxysilane having anisostropic material properties Sika Technology AG (CH) 2010-05-26 EP disclosed
EP-2189485-A1 Polyurethane composition comprising alpha-silane having anisostropic material properties Sika Technology AG (CH) 2010-05-26 EP disclosed
WO-2010049516-A1 POLYURETHANE COMPOSITION THAT CONTAINS ORGANOMETHOXYSILANE AND HAS ANISOTROPIC MATERIAL PROPERTIES SIKA TECHNOLOGY AG (CH) 2010-05-06 WO disclosed
WO-2010049518-A1 POLYURETHANE COMPOSITION THAT CONTAINS ALPHA-SILANE AND HAS ANISOTROPIC MATERIAL PROPERTIES SIKA TECHNOLOGY AG (CH) 2010-05-06 WO disclosed
WO-2009080738-A1 CURABLE COMPOSITIONS HAVING LESS VOLATILIZATION SIKA TECHNOLOGY AG (CH) 2009-07-02 WO disclosed
EP-2072550-A1 Hardening compounds with reduced gas emission Sika Technology AG (CH) 2009-06-24 EP 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 (5 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-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B TSHR 90/4885ALDH1A1 1263/4885USP2 3493/4885
US-10138220-B1 Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A TSHR 105/4885ALDH1A1 1710/4885USP2 3579/4885
US-20170226082-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2A TSHR 133/4885ALDH1A1 857/4885USP2 2629/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B TSHR 90/4885ALDH1A1 1263/4885USP2 3493/4885
US-20170362200-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2A TSHR 133/4885ALDH1A1 857/4885USP2 2629/4885

“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.