SCHEMBL4037174

SCHEMBL4037174

CCCc1c(OCC)ccc2cc(C(=O)Nc3ccc(CN(C)C4CC4)cc3)c(=O)oc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.49
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CNR2 P34972 5/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4036620 0.93 S1PR1 (0.58) S1PR1MAPTTP53MAOAMAOB
SCHEMBL3884878 0.92 S1PR1 (0.46) S1PR1MAPTTP53MAOAMAOB
SCHEMBL3878880 0.90 S1PR1 (0.53) S1PR1MAPTTP53MAOAMAOB
SCHEMBL4522207 0.88 S1PR1 (0.51) S1PR1MAPTTP53MAOAMAOB
SCHEMBL3888458 0.87 S1PR1 (0.50) S1PR1MAPTTP53MAOAMAOB
SCHEMBL3885686 0.85 S1PR1 (0.49) S1PR1MAPTTP53MAOAMAOB
SCHEMBL4527625 0.85 S1PR1 (0.51) S1PR1MAPTTP53MAOAMAOB
SCHEMBL4521324 0.84 S1PR1 (0.54) S1PR1MAPTTP53MAOAMAOB
SCHEMBL3882983 0.84 S1PR1 (0.54) S1PR1MAPTTP53MAOAMAOB
SCHEMBL3891014 0.83 S1PR1 (0.50) S1PR1MAPTTP53MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318546-A1 Chromen-2-One Derivatives NOVARTIS AG (CH) 2009-12-24 US claimed
EP-1268443-B1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP claimed
EP-2010511-A1 CHROMEN-2-ONE DERIVATIVES Novartis AG (CH) 2009-01-07 EP claimed
WO-2007115820-A1 CHROMEN-2-ONE DERIVATIVES NOVARTIS AG (CH) 2007-10-18 WO claimed
US-6972297-B2 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2005-12-06 US claimed
US-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-19 US claimed
EP-1268443-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SmithKline Beecham p.l.c. (GB) 2003-01-02 EP claimed
WO-2001074788-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2001-10-11 WO claimed
US-20090291987-A1 NOVEL POLYMORPH OF (5-AMINO-6-METHOXY-3-PYRIDINCARBONYL) CARBAMIC ACID 2-(S)-HYDROXYMUTILIN 14-ESTER GLAXO GROUP LIMITED 2009-11-26 US disclosed
EP-1268443-B1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
US-6972297-B2 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2005-12-06 US disclosed
US-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-19 US disclosed
EP-1268443-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SmithKline Beecham p.l.c. (GB) 2003-01-02 EP disclosed
WO-2001074788-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2001-10-11 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 (3 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-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use MSH6, MSH2, PMS2 S1PR1 4881/4885MAPT 3742/4885TP53 1366/4885
US-20090291987-A1 NOVEL POLYMORPH OF (5-AMINO-6-METHOXY-3-PYRIDINCARBONYL) CARBAMIC ACID 2-(S)-HYDROXYMUTILIN 14-ESTER HMBS, CYP2C19, MLN S1PR1 4855/4885MAPT 2922/4885TP53 362/4885
US-20090318546-A1 Chromen-2-One Derivatives CYP1A2, CYP4B1, CYP1B1 S1PR1 3084/4885MAPT 3872/4885TP53 487/4885

“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.