SCHEMBL2193364

SCHEMBL2193364

O=C(NCc1ccc2c(c1)CCN(C1CCC1)CC2)c1cnc(N2CCC(F)(F)C2)nc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.45
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
KLKB1 P03952 2/20 0.41
KLK1 P06870 2/20 0.41
CXCR3 P49682 3/20 0.41
HRH1 P35367 1/20 0.40
NAMPT P43490 1/20 0.40
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL2193394 0.96 HRH3 (0.45) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6860616 0.90 HRH3 (0.49) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1788619 0.88 HRH3 (0.48) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2271409 0.87 HRH3 (0.50) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1788640 0.86 HRH3 (0.45) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1787502 0.86 HRH3 (0.45) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1787507 0.86 HRH3 (0.45) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2268792 0.86 HRH3 (0.47) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2191783 0.83 HRH3 (0.47) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1788050 0.82 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 6 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
WO-2011083314-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 WO 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.