SCHEMBL2013396

SCHEMBL2013396

C[C@@H]1CN(Cc2cnc(-c3cccnc3N3CCC4(CC3)OCCO4)s2)C[C@H](C)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 9/20 0.47
TSHR P16473 2/20 0.35
ALDH1A1 P00352 7/20 0.33
LMNA P02545 6/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDCD1 Q15116 1/20 0.32

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
SCHEMBL2011392 0.85 MLNR (0.44) MLNRTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL2008610 0.84 MLNR (0.49) MLNRLMNACYP3A4GAAPDCD1
SCHEMBL2006673 0.82 MLNR (0.42) MLNRTSHRALDH1A1CYP3A4
SCHEMBL2008923 0.78 MLNR (0.78) MLNRCYP3A4
Hydrochloric Acid SCHEMBL2011751 0.77 MLNR (0.77) MLNRCYP3A4
SCHEMBL2008429 0.74 ALDH1A1 (0.39) TSHRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2012328 0.68 MLNR (0.44) MLNRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL4648049 0.68 MLNR (0.44) MLNRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL12572057 0.66 ALDH1A1 (0.52) TSHRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2007778 0.66 HTR2B (0.41) TSHRALDH1A1LMNASMN1; SMN2KDM4E

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 47/4885TSHR 652/4885ALDH1A1 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.