SCHEMBL2007485

SCHEMBL2007485

O=C1CCN(c2ncccc2-c2ccc(CN3CCN(C(=O)OCc4ccccc4)CC3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.45
FNTB P49356 3/20 0.45
PGGT1B P53609 3/20 0.45
GRIN2B Q13224 4/20 0.40
IDH1 O75874 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HDAC1 Q13547 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GRM5 P41594 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2009575 0.86 HDAC1 (0.42) IDH1HDAC1CYP2C9
SCHEMBL2002644 0.86 FNTA (0.42) FNTAFNTBPGGT1BGRIN2BIDH1
SCHEMBL2011342 0.83 MLNR (0.45) FNTAFNTBPGGT1BGRIN2BCYP3A4
SCHEMBL3134335 0.77 CHRM4 (0.38) KMT2A
SCHEMBL12661536 0.76 FNTA (0.61) FNTAFNTBPGGT1BKDM4EALDH1A1
SCHEMBL13150160 0.74 KMT2A (0.62) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL1895481 0.74 FNTA (0.53) FNTAFNTBPGGT1BGRIN2BKDM4E
SCHEMBL2012686 0.74 HDAC1 (0.40) IDH1ALDH1A1HDAC1CYP2C9
SCHEMBL2011041 0.73 MLNR (0.42) CYP3A4CYP2D6
SCHEMBL8921825 0.71 HDAC1 (0.58) GRIN2BHDAC1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964602-B2 Biaryl compounds useful as agonists of the Gpr38 receptor GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
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 FNTA 735/4885FNTB 1275/4885PGGT1B 130/4885

“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.