SCHEMBL4946004

SCHEMBL4946004

Clc1ccc(-c2nccn2CCCCBr)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.44
EGLN2 Q96KS0 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
DPP4 P27487 1/20 0.39
AHR P35869 1/20 0.38
TNKS O95271 1/20 0.38
CRHR1 P34998 1/20 0.37
KCNH2 Q12809 1/20 0.37
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 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
SCHEMBL8908653 0.82 HSD11B1 (0.47) HSD11B1EGLN2KMT2AMEN1DPP4
SCHEMBL8382134 0.74 HSD11B1 (0.40) HSD11B1EGLN2KMT2AMEN1DPP4
SCHEMBL28459435 0.71 KMT2A (0.42) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4944410 0.71 ESR1 (0.59) KMT2ANPC1CYP3A4CYP2C9CYP2C19
SCHEMBL10879071 0.69 HSD11B1 (0.40) HSD11B1EGLN2DPP4CRHR1KCNH2
SCHEMBL11338993 0.68 HSD11B1 (0.37) HSD11B1EGLN2DPP4TNKSNPC1
SCHEMBL6528504 0.68 HSD11B1 (0.51) HSD11B1EGLN2KMT2AMEN1TNKS
SCHEMBL11154782 0.65 HSD11B1 (0.47) HSD11B1EGLN2KMT2AMEN1DPP4
SCHEMBL14675767 0.65 TLR8 (0.50) KMT2AKCNH2GAAMAPT
SCHEMBL27637354 0.65 TLR8 (0.68) KMT2AKCNH2

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
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 US disclosed
EP-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 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-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors GRM2, GRM1, GRIK2 HSD11B1 1371/4885EGLN2 1558/4885KMT2A 2204/4885

“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.