SCHEMBL1787575

SCHEMBL1787575

O=C(c1ccc2c(c1)CCN(C1=CC=C1)CC2)N1CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.44
HDAC6 Q9UBN7 1/20 0.43
KDM1A O60341 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
MYC P01106 1/20 0.39
TSHR P16473 2/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL1789790 0.97 HPGD (0.47) HPGDHDAC6KDM1AALDH1A1LMNA
SCHEMBL1790934 0.88 HSP90AA1 (0.45) HPGDHDAC6LMNASMN1; SMN2TP53
SCHEMBL1791341 0.88 PKM (0.49) HPGDALDH1A1GAA
SCHEMBL1790481 0.86 HDAC6 (0.40) HPGDHDAC6KDM1AALDH1A1LMNA
SCHEMBL1787356 0.84 ALDH1A1 (0.57) HDAC6ALDH1A1MAPTMYCCYP2C19
SCHEMBL1791392 0.84 ALDH1A1 (0.53) HPGDALDH1A1SMN1; SMN2PDK2GAA
SCHEMBL1787138 0.82 ALDH1A1 (0.52) HDAC6ALDH1A1LMNASMN1; SMN2PDK2
SCHEMBL1791095 0.82 ALDH1A1 (0.42) HDAC6KDM1AALDH1A1HSD17B10GAA
SCHEMBL1792228 0.82 ALDH1A1 (0.42) HDAC6ALDH1A1
SCHEMBL1788411 0.81 PDK2 (0.44) HPGDHDAC6ALDH1A1PDK2

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 1107/4885HDAC6 683/4885KDM1A 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.