SCHEMBL3138321

SCHEMBL3138321

C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4ccc(F)cc4)CC3)n2)CCN1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLNR O43193 7/20 0.72
MGLL Q99685 1/20 0.40
CCR1 P32246 1/20 0.39
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
SLC5A7 Q9GZV3 1/20 0.36
FFAR1 O14842 1/20 0.36
MEN1 O00255 1/20 0.35
ADRB2 P07550 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
SCHEMBL3134434 0.92 MLNR (0.73) MLNRMGLLHRH1CCR3KCNH2
SCHEMBL2013138 0.90 MLNR (0.65) MLNRMGLLCCR1ALDH1A1KMT2A
SCHEMBL2007837 0.86 MLNR (0.73) MLNRHRH1CCR3KCNH2ALDH1A1
SCHEMBL3128327 0.84 MLNR (0.85) MLNR
SCHEMBL2010301 0.83 MLNR (0.66) MLNRMGLL
SCHEMBL2013140 0.81 MLNR (0.61) MLNRHRH1CCR3KCNH2ALDH1A1
SCHEMBL2008069 0.78 MLNR (0.73) MLNR
SCHEMBL2009345 0.76 MLNR (1.00) MLNR
SCHEMBL2009415 0.75 MLNR (1.00) MLNRHRH1CCR3KCNH2
SCHEMBL2012437 0.75 MLNR (1.00) MLNRKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960390-B1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LTD (GB) 2010-07-21 EP disclosed
US-20080306083-A1 Biaryl Compounds Useful as Agonists of the Gpr38 Receptor GLAXO GROUP LIMITED 2008-12-11 US 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-20080306083-A1 Biaryl Compounds Useful as Agonists of the Gpr38 Receptor GPR88, GPR68, GPBAR1 MLNR 47/4885MGLL 398/4885CCR1 1017/4885

“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.