SCHEMBL2011392

SCHEMBL2011392

C[C@@H]1CN(Cc2csc(-c3cccnc3N3CCC4(CC3)OCCO4)n2)C[C@H](C)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 7/20 0.44
ACKR3 P25106 2/20 0.39
ALDH1A1 P00352 6/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL2013396 0.85 MLNR (0.47) MLNRALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL4648049 0.83 MLNR (0.44) MLNRACKR3ALDH1A1LMNASMN1; SMN2
SCHEMBL2012328 0.83 MLNR (0.44) MLNRACKR3ALDH1A1LMNASMN1; SMN2
SCHEMBL2006673 0.80 MLNR (0.42) MLNRALDH1A1TSHRCYP3A4
SCHEMBL3134318 0.77 MLNR (0.71) MLNRCYP3A4
Hydrochloric Acid SCHEMBL2015309 0.76 MLNR (0.70) MLNRCYP3A4
SCHEMBL2009388 0.76 MLNR (0.55) MLNRACKR3GAAKDM4ECYP3A4
SCHEMBL2011312 0.75 MLNR (0.62) MLNRKDM4ECYP3A4CYP1A2
SCHEMBL2007778 0.74 HTR2B (0.41) ALDH1A1TSHRLMNASMN1; SMN2MAPK1
SCHEMBL2008610 0.69 MLNR (0.49) MLNRLMNAGAACYP3A4

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 180/4885ALDH1A1 1673/4885

“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.