SCHEMBL1786630

SCHEMBL1786630

CCn1cc(Cl)c(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
ROCK2 O75116 1/20 0.40
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
OPRM1 P35372 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGER1 P34995 1/20 0.33
DDR1 Q08345 1/20 0.33

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
SCHEMBL1787362 0.84 TP53 (0.52) TP53ROCK2RAB9AKDM4EPOLB
SCHEMBL1789071 0.82 NPC1 (0.41) TP53ROCK2LMNAHPGDRAB9A
SCHEMBL1786628 0.82 HRH3 (0.47) TP53ROCK2
SCHEMBL1790452 0.81 ALDH1A1 (0.50) TP53ROCK2LMNAHPGDPOLB
SCHEMBL1787706 0.79 HDAC6 (0.43) TP53RAB9ANPC1HTTHDAC6
SCHEMBL1788755 0.79 SLC8A1 (0.36) TP53ROCK2L3MBTL1HDAC6KMT2A
SCHEMBL1790327 0.78 GAA (0.48) TP53ROCK2LMNAKDM4EPOLB
SCHEMBL1790366 0.78 RAB9A (0.40) ROCK2LMNAHPGDRAB9AOPRM1
SCHEMBL1787760 0.78 MAPT (0.50) TP53LMNARAB9APOLBHTT
SCHEMBL1787644 0.77 ALDH1A1 (0.53) TP53LMNAHPGDRAB9AKDM4E

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 TP53 4800/4885ROCK2 2377/4885LMNA 2172/4885

“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.