SCHEMBL1789606

SCHEMBL1789606

Cc1cc(CNC(=O)c2ccc3c(c2)CCN(C2CCC2)CC3)no1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.52
CYP2D6 P10635 1/20 0.52
NAMPT P43490 1/20 0.49
ROCK2 O75116 1/20 0.48
HRH1 P35367 1/20 0.42
ACKR3 P25106 1/20 0.42
KDM2B Q8NHM5 2/20 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
SCHEMBL1792605 0.83 SLC5A7 (0.50) HRH3ROCK2HRH1ACKR3KDM2B
SCHEMBL1791099 0.83 HPGD (0.46) HRH3
SCHEMBL1787617 0.82 HRH3 (0.49) HRH3CYP2D6ROCK2HRH1KDM2B
SCHEMBL1787684 0.82 NAMPT (0.49) HRH3NAMPTROCK2HRH1ACKR3
SCHEMBL1792347 0.82 HRH3 (0.56) HRH3CYP2D6HRH1
SCHEMBL12608452 0.81 MAPT (0.53) HRH3KDM2B
SCHEMBL1787082 0.81 HRH3 (0.48) HRH3HRH1KDM2B
SCHEMBL1790042 0.81 KDM4E (0.52) HRH3NAMPTROCK2
SCHEMBL1787705 0.81 HRH3 (0.61) HRH3CYP2D6HRH1KDM2B
SCHEMBL1789068 0.80 HRH3 (0.48) HRH3NAMPTROCK2HRH1KDM2B

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 HRH3 2/4885CYP2D6 359/4885NAMPT 4540/4885

“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.