SCHEMBL1789818

SCHEMBL1789818

O=C(NCc1nc2ccccc2s1)c1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.51
BCHE P06276 1/20 0.49
ROCK1 Q13464 1/20 0.47
HRH3 Q9Y5N1 6/20 0.46
CXCR6 O00574 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
OGFRL1 Q5TC84 2/20 0.40
MAPT P10636 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KDM2B Q8NHM5 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
SCHEMBL1789819 0.81 ROCK2 (0.49) ROCK2BCHEROCK1SMN1; SMN2PRMT5
SCHEMBL1787588 0.81 MAPT (0.47) HRH3PRMT5WDR77OGFRL1MAPT
SCHEMBL1788806 0.80 HRH3 (0.54) HRH3SMN1; SMN2MAPTPOLBHPGD
SCHEMBL1790042 0.80 KDM4E (0.52) ROCK2HRH3MAPTPOLB
SCHEMBL1789085 0.80 SMN1; SMN2 (0.54) ROCK2SMN1; SMN2MAPTPOLB
SCHEMBL1790533 0.79 ROCK2 (0.48) ROCK2HRH3HPGDKDM2B
SCHEMBL1789634 0.78 HRH3 (0.57) HRH3SMN1; SMN2MAPTPOLBHTT
SCHEMBL1791728 0.77 HPGD (0.56) ROCK2HRH3SMN1; SMN2MAPTPOLB
SCHEMBL1790326 0.77 RXFP1 (0.56) ROCK2HRH3SMN1; SMN2MAPTPOLB
SCHEMBL1790097 0.77 LMNA (0.50) HRH3MAPTKDM2B

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 ROCK2 2377/4885BCHE 153/4885ROCK1 2757/4885

“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.