SCHEMBL1372140

SCHEMBL1372140

[CH2]N1CCN(c2ccc(C(C)=O)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.66
ALDH1A1 P00352 7/20 0.66
KMT2A Q03164 5/20 0.66
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
MEN1 O00255 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 2/20 0.52
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52
PANK3 Q9H999 1/20 0.52
ATM Q13315 1/20 0.51

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
SCHEMBL15801114 0.90 MAPT (0.71) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL17669252 0.90 MAPT (0.71) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL1483566 0.85 MAPT (0.71) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL3028108 0.84 MAPT (0.69) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL336009 0.83 NPC1 (0.65) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL9531913 0.83 NPC1 (0.68) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL20456544 0.83 MAPT (0.63) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL909633 0.82 MAPT (0.62) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL15156349 0.82 MAPT (0.62) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL1484133 0.82 MAPT (0.67) MAPTALDH1A1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 US disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 2010-04-22 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-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 MAPT 4150/4885ALDH1A1 4114/4885KMT2A 3292/4885

“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.