SCHEMBL1788014

SCHEMBL1788014

Nc1ncccc1CNC(=O)c1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
EPHX2 P34913 1/20 0.36
SCN2A Q99250 2/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
ROCK2 O75116 1/20 0.36
KLKB1 P03952 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1790046 0.83 KDM4E (0.52) NAMPTMAPTL3MBTL1ROCK2NPC1
SCHEMBL1790327 0.82 GAA (0.48) MAPTROCK2LMNASMN1; SMN2
SCHEMBL1790098 0.82 MAPT (0.48) MAPTDRD2DRD3DRD1DRD4
SCHEMBL1788010 0.81 HRH3 (0.46)
SCHEMBL1791515 0.80 EPHX2 (0.50) EPHX2ROCK2
SCHEMBL1791073 0.80 LMNA (0.56) NAMPTMAPTL3MBTL1ROCK2LMNA
SCHEMBL1791894 0.80 ALDH1A1 (0.48) NAMPTMAPTROCK2LMNASMN1; SMN2
SCHEMBL1792134 0.80 DRD2 (0.46) MAPTDRD2DRD3DRD1DRD4
SCHEMBL1788808 0.79 RAB9A (0.48) NAMPTMAPTHDAC6NPC1RAB9A
SCHEMBL1789970 0.79 ROCK2 (0.49) MAPTEPHX2ROCK2HDAC1HDAC6

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 NAMPT 4540/4885MAPT 3598/4885L3MBTL1 1512/4885

“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.