SCHEMBL1787618

SCHEMBL1787618

Cc1cc(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)c(C)o1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
MAPT P10636 4/20 0.39
HDAC6 Q9UBN7 2/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
USP2 O75604 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL1788120 0.87 HDAC6 (0.37) MAPTHDAC6KMT2ATP53NPC1
SCHEMBL1787825 0.82 MAPT (0.39) MAPTHDAC6KMT2ATP53
SCHEMBL1789608 0.82 NAMPT (0.49) ROCK2MAPTHDAC6KMT2ANPC1
SCHEMBL1787706 0.81 HDAC6 (0.43) HDAC6KMT2ATP53NPC1RAB9A
SCHEMBL1789970 0.80 ROCK2 (0.49) ROCK2MAPTHDAC6KMT2ATP53
SCHEMBL1787644 0.80 ALDH1A1 (0.53) MAPTKMT2ATP53NPC1RAB9A
SCHEMBL1787617 0.80 HRH3 (0.49) ROCK2MAPTHDAC6
SCHEMBL1790327 0.80 GAA (0.48) ROCK2MAPTTP53
SCHEMBL1790098 0.80 MAPT (0.48) MAPTHDAC6KMT2ATP53DRD2
SCHEMBL1789725 0.79 EPHX2 (0.48) MAPTHDAC6KMT2ATP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US 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 2377/4885MAPT 3598/4885HDAC6 683/4885

“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.