SCHEMBL4358231

SCHEMBL4358231

CCCc1c(OCC)ccc2cc(C(=O)Nc3ccc(CN4CC[C@@H](O)C4)cc3)c(=O)oc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.46
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CNR2 P34972 4/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
CCR5 P51681 1/20 0.38

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
SCHEMBL3955854 1.00 S1PR1 (0.46) S1PR1TP53MAPTCNR2MAOA
SCHEMBL4523511 0.93 S1PR1 (0.55) S1PR1TP53MAPTCNR2MAOA
SCHEMBL4531541 0.93 S1PR1 (0.55) S1PR1TP53MAPTCNR2MAOA
SCHEMBL3889085 0.89 S1PR1 (0.50) S1PR1TP53MAPTCNR2MAOA
SCHEMBL4508967 0.88 CNR2 (0.51) TP53MAPTCNR2MAOAMAOB
SCHEMBL3945831 0.87 CACNA1B (0.52) S1PR1TP53MAPTALDH1A1
SCHEMBL3891829 0.87 TP53 (0.49) S1PR1TP53MAPTCNR2MAOA
SCHEMBL3883462 0.87 TP53 (0.49) S1PR1TP53MAPTCNR2MAOA
SCHEMBL3880281 0.85 S1PR1 (0.46) S1PR1TP53MAPTCNR2MAOA
SCHEMBL4507775 0.84 S1PR1 (0.45) S1PR1TP53MAPTCNR2MAOA

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-20090318546-A1 Chromen-2-One Derivatives NOVARTIS AG (CH) 2009-12-24 US 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

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-20090318546-A1 Chromen-2-One Derivatives CYP1A2, CYP4B1, CYP1B1 S1PR1 3084/4885TP53 487/4885MAPT 3872/4885

“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.