SCHEMBL2008145

SCHEMBL2008145

O=Cc1ccc(-c2cccnc2N2CCC(Nc3ccc(F)cc3)CC2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 8/20 0.50
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
GHSR Q92847 1/20 0.38
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34
PAK1 Q13153 1/20 0.34
OPRK1 P41145 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33

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
SCHEMBL2010058 0.76 MLNR (0.71) MLNRCYP3A4CYP2D6GHSR
SCHEMBL2011532 0.74 MLNR (0.50) MLNRALDH1A1CYP3A4CYP2D6GHSR
SCHEMBL2011340 0.73 MLNR (0.53) MLNRALDH1A1CYP3A4CYP2D6GHSR
SCHEMBL3138703 0.67 MLNR (0.53) MLNRKDM4ECYP3A4CYP2D6GHSR
SCHEMBL2008923 0.66 MLNR (0.78) MLNRCYP3A4CYP2D6GHSR
SCHEMBL1729840 0.66 KMT2A (0.45) MLNRALDH1A1CYP3A4DRD2TRPV1
Hydrochloric Acid SCHEMBL2008327 0.66 MLNR (0.52) MLNRKDM4ECYP3A4CYP2D6GHSR
SCHEMBL4696836 0.66 MLNR (0.65) MLNRCYP3A4CYP2D6GHSR
Hydrochloric Acid SCHEMBL2011751 0.66 MLNR (0.77) MLNRCYP3A4CYP2D6GHSR
SCHEMBL2013240 0.65 MLNR (0.69) MLNRCYP3A4CYP2D6GHSR

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 MLNR 47/4885ALDH1A1 1673/4885KDM4E 4600/4885

“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.