SCHEMBL1787914

SCHEMBL1787914

O=S(=O)(Cc1ccc2c(c1)CCN(C1=CC=C1)CC2)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLNR O43193 11/20 0.46
CYP2D6 P10635 6/20 0.43
ESR2 Q92731 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL12608373 0.82 HRH3 (0.51) MLNRCYP2D6MAPTDRD2DRD3
SCHEMBL12651580 0.81 MLNR (0.50) MLNRCYP2D6ESR2MEN1KMT2A
SCHEMBL20097742 0.79 DRD1 (0.49) MLNRCYP2D6ESR2MEN1KMT2A
SCHEMBL1787636 0.77 KMT2A (0.38) MEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL1789403 0.76 KMT2A (0.41) MEN1KMT2AMAPTALDH1A1
SCHEMBL1787913 0.76 HRH3 (0.57) MLNRCYP2D6ALDH1A1DRD2DRD3
SCHEMBL1789401 0.75 MLNR (0.74) MLNRCYP2D6
SCHEMBL1790111 0.74 GRIN2B (0.39) DRD2
SCHEMBL3094817 0.72 HRH3 (0.67) CYP2D6NPC1RAB9A
SCHEMBL1791494 0.72 TAAR1 (0.34) CYP2D6KMT2AMAPTTDP1ALDH1A1

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 MLNR 1126/4885CYP2D6 359/4885ESR2 1902/4885

“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.