SCHEMBL2194547

SCHEMBL2194547

CO[C@H]1CCN(c2ncc(C(=O)NCc3ccc4c(c3)CCN(C3CCC3)CC4)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 7/20 0.47
HRH3 Q9Y5N1 9/20 0.46
ADRA1A P35348 2/20 0.46
KLKB1 P03952 2/20 0.43
KLK1 P06870 2/20 0.43
HRH1 P35367 1/20 0.42

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
SCHEMBL2189204 1.00 DGAT2 (0.47) DGAT2HRH3ADRA1AKLKB1KLK1
SCHEMBL2191783 0.95 HRH3 (0.47) DGAT2HRH3ADRA1AHRH1
SCHEMBL2267473 0.90 ADRA1A (0.56) DGAT2HRH3ADRA1AKLKB1KLK1
SCHEMBL2223790 0.90 ADRA1A (0.56) DGAT2HRH3ADRA1AKLKB1KLK1
SCHEMBL1788640 0.88 HRH3 (0.45) DGAT2HRH3KLKB1KLK1HRH1
SCHEMBL1787507 0.88 HRH3 (0.45) DGAT2HRH3KLKB1KLK1HRH1
SCHEMBL1787502 0.88 HRH3 (0.45) DGAT2HRH3KLKB1KLK1HRH1
SCHEMBL1788619 0.87 HRH3 (0.48) DGAT2HRH3HRH1
SCHEMBL2269495 0.85 HRH3 (0.50) HRH3ADRA1AKLKB1KLK1HRH1
SCHEMBL2266847 0.85 HRH3 (0.50) HRH3ADRA1AKLKB1KLK1HRH1

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 DGAT2 4425/4885HRH3 1/4885ADRA1A 132/4885

“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.