SCHEMBL2012328

SCHEMBL2012328

C[C@@H]1CN(Cc2csc(-c3cccnc3N3CCC(=O)CC3)n2)C[C@H](C)N1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLNR O43193 11/20 0.44
ACKR3 P25106 2/20 0.41
LMNA P02545 3/20 0.38
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH1 P35367 1/20 0.35
CYP2D6 P10635 1/20 0.34
GHSR Q92847 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL4648049 1.00 MLNR (0.44) MLNRACKR3LMNACYP3A4KDM4E
SCHEMBL2008610 0.83 MLNR (0.49) MLNRLMNACYP3A4CYP2D6GHSR
SCHEMBL2011392 0.83 MLNR (0.44) MLNRACKR3LMNACYP3A4KDM4E
SCHEMBL3134318 0.80 MLNR (0.71) MLNRCYP3A4CYP2D6GHSR
SCHEMBL2009388 0.79 MLNR (0.55) MLNRACKR3CYP3A4KDM4ECYP2D6
Hydrochloric Acid SCHEMBL2015309 0.79 MLNR (0.70) MLNRCYP3A4CYP2D6GHSR
SCHEMBL2011041 0.78 MLNR (0.42) MLNRLMNACYP3A4CYP2D6GHSR
SCHEMBL2011312 0.78 MLNR (0.62) MLNRCYP3A4KDM4ECYP2D6GHSR
SCHEMBL2013396 0.68 MLNR (0.47) MLNRLMNACYP3A4KDM4ENPC1
SCHEMBL2008923 0.65 MLNR (0.78) 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 3 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

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 47/4885ACKR3 180/4885LMNA 3645/4885

“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.