SCHEMBL1787684

SCHEMBL1787684

Cn1ccc(CNC(=O)c2ccc3c(c2)CCN(C2CCC2)CC3)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.49
ROCK2 O75116 1/20 0.49
HRH3 Q9Y5N1 12/20 0.49
HRH1 P35367 1/20 0.42
HPGDS O60760 1/20 0.42
KDM2B Q8NHM5 2/20 0.42
ACKR3 P25106 1/20 0.41

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
SCHEMBL1789068 0.88 HRH3 (0.48) NAMPTROCK2HRH3HRH1KDM2B
SCHEMBL1792605 0.85 SLC5A7 (0.50) ROCK2HRH3HRH1KDM2BACKR3
SCHEMBL1787082 0.83 HRH3 (0.48) HRH3HRH1HPGDSKDM2B
SCHEMBL1793232 0.83 HRH3 (0.45) HRH3KDM2B
SCHEMBL1787641 0.82 ALDH1A1 (0.53) HRH3HRH1KDM2B
SCHEMBL1789606 0.82 HRH3 (0.52) NAMPTROCK2HRH3HRH1KDM2B
SCHEMBL1789900 0.82 ROCK2 (0.50) ROCK2HRH3HRH1
SCHEMBL1788398 0.82 HRH3 (0.46) HRH3HRH1KDM2B
SCHEMBL1787243 0.81 HRH3 (0.48) HRH3HRH1KDM2BACKR3
SCHEMBL1788605 0.81 HRH3 (0.50) NAMPTHRH3HRH1KDM2B

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
EP-2326625-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 WO disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 NAMPT 4540/4885ROCK2 2377/4885HRH3 2/4885

“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.