SCHEMBL3729192

SCHEMBL3729192

CCCCOc1ccc(-c2nc3cc(CCC(C)(N)CO)ccc3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
S1PR1 P21453 8/20 0.45
S1PR4 O95977 6/20 0.45
S1PR3 Q99500 6/20 0.45
S1PR5 Q9H228 5/20 0.45
P2RY14 Q15391 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43

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
SCHEMBL3729190 1.00 MAPT (0.47) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL3731473 0.85 KDM4E (0.45) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL3731478 0.85 KDM4E (0.45) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL3729360 0.84 ESR1 (0.54) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL3729358 0.84 ESR1 (0.54) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL3731795 0.83 NPC1 (0.49) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL3731794 0.83 NPC1 (0.49) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL3731114 0.83 SMN1; SMN2 (0.50) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL3731120 0.83 SMN1; SMN2 (0.50) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL3741781 0.82 P2RY14 (0.45) MAPTTP53NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622866-B1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-07-25 EP disclosed
US-7825260-B2 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2006-09-21 US disclosed
EP-1622866-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096757-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2004-11-11 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 (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-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators S1PR1, S1PR3, S1PR2 MAPT 3855/4885TP53 4466/4885NPC1 986/4885

“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.