SCHEMBL1787748

SCHEMBL1787748

O=C(NC1CCCC1)c1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.57
HRH3 Q9Y5N1 7/20 0.57
KDM2B Q8NHM5 2/20 0.51
HDAC6 Q9UBN7 3/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 3/20 0.49
RAB9A P51151 2/20 0.49
TSHR P16473 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL1791299 0.99 SMYD3 (0.59) SMYD3HRH3KDM2BHDAC6CYP3A4
SCHEMBL1793598 0.86 HRH3 (0.51) SMYD3HRH3KDM2B
SCHEMBL3082601 0.86 HRH3 (0.78) HRH3
SCHEMBL12608465 0.85 ALDH1A1 (0.51) SMYD3HRH3KDM2BSMN1; SMN2TSHR
SCHEMBL1790897 0.84 HRH3 (0.76) HRH3KDM2BHDAC6
SCHEMBL1787354 0.84 ALDH1A1 (0.60) HRH3KDM2BALDH1A1
SCHEMBL1082144 0.82 HDAC6 (0.44) SMYD3HRH3KDM2BHDAC6SMN1; SMN2
SCHEMBL1787754 0.82 HRH3 (0.69) SMYD3HRH3KDM2BHDAC6
SCHEMBL2822496 0.81 HRH3 (0.56) HRH3KDM2BHDAC6HPGDTP53
SCHEMBL1789796 0.81 HRH3 (0.54) HRH3KDM2BHDAC6HPGDALDH1A1

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 6 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
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US 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
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 SMYD3 386/4885HRH3 2/4885KDM2B 1549/4885

“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.