SCHEMBL1789085

SCHEMBL1789085

O=C(NCc1nc2ccccc2[nH]1)c1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 2/20 0.53
MAPK10 P53779 1/20 0.53
ITGB3 P05106 9/20 0.51
ITGAV P06756 9/20 0.51
ITGA2B P08514 2/20 0.51
ROCK2 O75116 1/20 0.51
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HDAC6 Q9UBN7 2/20 0.48
HDAC11 Q96DB2 1/20 0.48
RAB9A P51151 1/20 0.46

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
SCHEMBL1788440 0.83 ITGB3 (0.50) ITGB3ITGAVROCK2MAPTHDAC6
SCHEMBL1789087 0.81 TSHR (0.53) SMN1; SMN2POLBKMT2ATSHRMAPK10
SCHEMBL1793398 0.81 ITGB3 (0.49) ITGB3ITGAVITGA2BROCK2
SCHEMBL1788806 0.80 HRH3 (0.54) SMN1; SMN2POLBKMT2AMAPTKDM4E
SCHEMBL1789818 0.80 ROCK2 (0.51) SMN1; SMN2POLBROCK2MAPT
SCHEMBL1787588 0.79 MAPT (0.47) KMT2AMAPTHDAC6
SCHEMBL1790160 0.79 ROCK2 (0.49) SMN1; SMN2KMT2AROCK2RAB9A
SCHEMBL1789634 0.78 HRH3 (0.57) SMN1; SMN2POLBMAPTKDM4ERAB9A
SCHEMBL1790042 0.78 KDM4E (0.52) POLBKMT2AITGB3ITGAVITGA2B
SCHEMBL1790326 0.77 RXFP1 (0.56) SMN1; SMN2POLBKMT2AROCK2MAPT

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 SMN1; SMN2 4393/4885POLB 4401/4885KMT2A 731/4885

“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.