SCHEMBL1789790

SCHEMBL1789790

O=C(c1ccc2c(c1)CCN(C1=CC=C1)CC2)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM1A O60341 1/20 0.46
HDAC6 Q9UBN7 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.42
RECQL P46063 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41

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
SCHEMBL1787575 0.97 HPGD (0.44) HPGDALDH1A1KDM1AHDAC6GAA
SCHEMBL1791341 0.88 PKM (0.49) HPGDALDH1A1GAA
SCHEMBL1790934 0.88 HSP90AA1 (0.45) HPGDHDAC6SMN1; SMN2TSHRLMNA
SCHEMBL1790481 0.86 HDAC6 (0.40) HPGDALDH1A1KDM1AHDAC6CYP3A4
SCHEMBL1787356 0.84 ALDH1A1 (0.57) ALDH1A1HDAC6CYP2C19
SCHEMBL1791392 0.84 ALDH1A1 (0.53) HPGDALDH1A1GAASMN1; SMN2
SCHEMBL1787138 0.82 ALDH1A1 (0.52) ALDH1A1HDAC6GAASMN1; SMN2CYP2D6
SCHEMBL3076258 0.82 HRH3 (0.61) ALDH1A1CYP2D6
SCHEMBL1792228 0.82 ALDH1A1 (0.42) ALDH1A1HDAC6
SCHEMBL1791095 0.82 ALDH1A1 (0.42) ALDH1A1KDM1AHDAC6GAA

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 HPGD 1107/4885ALDH1A1 1526/4885KDM1A 1204/4885

“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.