SCHEMBL2191302

SCHEMBL2191302

CO[C@@H](C)CN(C)c1ncc(C(=O)NCc2ccc3c(c2)CCN(C2CCC2)CC3)cn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.48
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
HRH1 P35367 1/20 0.41
CXCR3 P49682 3/20 0.38
MAPK14 Q16539 1/20 0.37
NAMPT P43490 1/20 0.37
CYP2D6 P10635 1/20 0.36

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
SCHEMBL2191319 1.00 HRH3 (0.48) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2266798 0.91 HRH3 (0.51) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2267296 0.91 HRH3 (0.51) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1787184 0.86 HRH3 (0.51) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2269194 0.86 HRH3 (0.49) HRH3HRH1CYP2D6
SCHEMBL2223911 0.86 HRH3 (0.49) HRH3HRH1CYP2D6
SCHEMBL6856979 0.85 TP53 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1789543 0.83 HRH3 (0.59) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1789542 0.83 HRH3 (0.59) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1788302 0.83 HRH3 (0.52) HRH3PRKAB2PRKAG1PRKAA2PRKAA1

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-20110172204-A1 COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US claimed
US-20110172204-A1 COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
US-20110172204-A1 COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
US-20110172204-A1 COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
WO-2011083314-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 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 (1 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-20110172204-A1 COMPOUNDS AND THEIR USE HRH3, HRH4, HRH2 HRH3 1/4885PRKAB2 3140/4885PRKAG1 3321/4885

“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.