SCHEMBL1787138

SCHEMBL1787138

CNC(=O)C1CCN(C(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PDK2 Q15119 1/20 0.43
KMT2A Q03164 3/20 0.41
POLB P06746 3/20 0.41
EPHX2 P34913 2/20 0.40
HDAC6 Q9UBN7 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL1788411 0.88 PDK2 (0.44) ALDH1A1PDK2POLBHDAC6RAB9A
SCHEMBL1791392 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2PDK2KMT2APOLB
SCHEMBL1787575 0.82 HPGD (0.44) ALDH1A1SMN1; SMN2PDK2HDAC6GAA
SCHEMBL1789790 0.82 HPGD (0.47) ALDH1A1SMN1; SMN2HDAC6GAALMNA
SCHEMBL1790934 0.82 HSP90AA1 (0.45) SMN1; SMN2KMT2AHDAC6LMNA
SCHEMBL1787136 0.81 HRH3 (0.56) ALDH1A1SMN1; SMN2L3MBTL1CYP2D6
SCHEMBL1791341 0.79 PKM (0.49) ALDH1A1KMT2APOLBGAAL3MBTL1
SCHEMBL1790900 0.79 HDAC6 (0.47) ALDH1A1SMN1; SMN2KMT2AHDAC6LMNA
SCHEMBL1790481 0.77 HDAC6 (0.40) ALDH1A1KMT2AHDAC6LMNA
SCHEMBL1787356 0.76 ALDH1A1 (0.57) ALDH1A1KMT2APOLBHDAC6CYP2C19

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 3 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
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 ALDH1A1 1526/4885SMN1; SMN2 4393/4885PDK2 2577/4885

“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.