SCHEMBL1789862

SCHEMBL1789862

O=C(NCc1ccc2c(c1)CCN(C1=CC=C1)CC2)c1cnccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
ALOX15 P16050 1/20 0.43
GFER P55789 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 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
SCHEMBL1789742 0.87 HPGD (0.51) HPGDKDM4ERAB9ANPC1HTT
SCHEMBL1790517 0.83 LMNA (0.51) SMN1; SMN2TP53KMT2AMEN1POLB
SCHEMBL1788052 0.81 TP53 (0.44) RAB9ATP53KMT2APOLB
SCHEMBL1787346 0.81 MAPK14 (0.41) SMN1; SMN2HPGDTP53POLB
SCHEMBL1789860 0.80 HRH3 (0.52) SMN1; SMN2CYP1A2CYP2C19CYP2C9HPGD
SCHEMBL1792348 0.80 CYP1A2 (0.51) SMN1; SMN2CYP1A2CYP2C19RAB9ANPC1
SCHEMBL1787198 0.80 PRKAB2 (0.41) TP53POLB
SCHEMBL1788446 0.80 ACE2 (0.53) SMN1; SMN2HPGDNPSR1TP53HTT
SCHEMBL1788622 0.79 DGAT2 (0.42) SMN1; SMN2HPGDTP53ALDH1A1
SCHEMBL1789763 0.79 TP53 (0.41) TP53POLB

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 SMN1; SMN2 4393/4885CYP1A2 468/4885CYP2C19 342/4885

“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.