SCHEMBL1856142

SCHEMBL1856142

Cc1ccc(N)c(NC(C)(C)CCN(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 1/20 0.36
GUCY1B1 Q02153 1/20 0.36
HDAC2 Q92769 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 5/20 0.32
HDAC3 O15379 4/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CLCN2 P51788 1/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL1855642 0.81 MAPT (0.42) KMT2AALDH1A1GAAKDM4ENPC1
SCHEMBL1855644 0.81 MAPT (0.42) KMT2AALDH1A1GAAKDM4ENPC1
SCHEMBL4388377 0.79 GUCY1A1 (0.42) GUCY1A1GUCY1B1HDAC2HDAC1HDAC3
SCHEMBL28775470 0.72 GUCY1A1 (0.36) GUCY1A1GUCY1B1HDAC2HDAC1HDAC3
SCHEMBL28775473 0.72 CYP1A2 (0.39) GUCY1A1GUCY1B1HDAC2HDAC1HDAC3
SCHEMBL1855646 0.67 MAPT (0.50) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL1855648 0.67 MAPT (0.50) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL15551319 0.66 HDAC2 (0.51) HDAC2MEN1KMT2AHDAC1HDAC3
SCHEMBL1027884 0.65 MEN1 (0.47) MEN1KMT2ALMNACYP1A2ALDH1A1
SCHEMBL14667342 0.65 HDAC2 (0.57) HDAC2HDAC1HDAC3LMNACYP1A2

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-7939658-B2 Enantiomeric pure beta agonists, manufacturing and use as a medicaments thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-10 US disclosed
US-20100297028-A1 MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-25 US disclosed
US-7534789-B2 Enantiomeric pure β agonists, manufacturing and use as a medicament thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-19 US disclosed
US-20070249595-A1 Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 US disclosed
US-20070203125-A1 Medicament Combinations for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 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-20070249595-A1 Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof ADRB1, ADRA1B, ADRA2B GUCY1A1 68/4885GUCY1B1 40/4885HDAC2 4633/4885
US-20070203125-A1 Medicament Combinations for the Treatment of Respiratory Diseases CHRM1, CHRM2, MTNR1B GUCY1A1 218/4885GUCY1B1 292/4885HDAC2 2527/4885
US-20100297028-A1 MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES CHRM1, CHRM2, MTNR1B GUCY1A1 218/4885GUCY1B1 292/4885HDAC2 2527/4885

“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.