SCHEMBL3945831

SCHEMBL3945831

CCCc1c(OCC)ccc2cc(C(=O)Nc3ccc(CN4CCOCC4)cc3)c(=O)oc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
S1PR1 P21453 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPK1 P28482 3/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
STAT3 P40763 1/20 0.48
KMT2A Q03164 2/20 0.47
NPC1 O15118 4/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 2/20 0.46

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
SCHEMBL3889085 0.93 S1PR1 (0.50) CACNA1BAPBA1SAE1UBA2S1PR1
SCHEMBL4176314 0.93 S1PR1 (0.58) S1PR1L3MBTL1RAB9ASMN1; SMN2MAPK1
SCHEMBL3946565 0.92 L3MBTL1 (0.48) CACNA1BAPBA1SAE1UBA2S1PR1
SCHEMBL3948452 0.92 KMT2A (0.53) CACNA1BAPBA1SAE1UBA2S1PR1
SCHEMBL3948561 0.91 S1PR1 (0.46) CACNA1BAPBA1SAE1UBA2S1PR1
SCHEMBL4041962 0.91 SMN1; SMN2 (0.51) CACNA1BAPBA1SAE1UBA2S1PR1
SCHEMBL4045766 0.89 SMN1; SMN2 (0.47) CACNA1BAPBA1SAE1UBA2S1PR1
SCHEMBL4035723 0.89 S1PR1 (0.46) CACNA1BAPBA1SAE1UBA2S1PR1
SCHEMBL3944106 0.88 KMT2A (0.53) S1PR1RAB9ASMN1; SMN2MAPK1LMNA
SCHEMBL3955854 0.87 S1PR1 (0.46) S1PR1MAPTALDH1A1TP53

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 CACNA1B 4364/4885APBA1 3095/4885SAE1 2879/4885

“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.