SCHEMBL3134470

SCHEMBL3134470

C[C@H]1CN(Cc2ccc(-c3cccnc3N3CCC(Nc4ccc(F)cc4)CC3)nc2)CCN1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MLNR O43193 18/20 0.50
CYP3A4 P08684 4/20 0.49
CYP2D6 P10635 1/20 0.49
GHSR Q92847 1/20 0.49
AXL P30530 1/20 0.41
FLT3 P36888 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
GAS6 Q14393 1/20 0.41
CCR1 P32246 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
SCHEMBL2010214 0.90 MLNR (0.46) MLNRCYP3A4CYP2D6GHSRCCR1
SCHEMBL2010299 0.84 MLNR (0.68) MLNRCYP3A4CYP2D6GHSRFLT3
SCHEMBL2013240 0.84 MLNR (0.69) MLNRCYP3A4CYP2D6GHSR
Hydrochloric Acid SCHEMBL2003648 0.83 MLNR (0.68) MLNRCYP3A4CYP2D6GHSR
SCHEMBL3134335 0.83 CHRM4 (0.38) MLNRCCR1
SCHEMBL3138703 0.81 MLNR (0.53) MLNRCYP3A4CYP2D6GHSRAXL
SCHEMBL2011342 0.81 MLNR (0.45) MLNRCYP3A4CYP2D6GHSRAXL
Hydrochloric Acid SCHEMBL2008327 0.81 MLNR (0.52) MLNRCYP3A4CYP2D6GHSRAXL
SCHEMBL3128941 0.80 MGLL (0.36) MLNRCYP3A4CCR1
SCHEMBL2006917 0.76 MLNR (0.69) MLNRCYP3A4CYP2D6GHSRFLT3

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 4 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
EP-1960390-A1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-08-27 EP disclosed
WO-2007065669-A1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-06-14 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-20080306083-A1 Biaryl Compounds Useful as Agonists of the Gpr38 Receptor GPR88, GPR68, GPBAR1 MLNR 47/4885CYP3A4 1125/4885CYP2D6 1351/4885

“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.