SCHEMBL3415484

SCHEMBL3415484

O=C(O)CNCCc1cc[c]c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2D6 P10635 1/20 0.34
DPP7 Q9UHL4 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL1418836 0.82 KEAP1 (0.47) CA1CA2
SCHEMBL1662307 0.80 SMN1; SMN2 (0.50) ALDH1A1CYP2D6
SCHEMBL1661480 0.77 CA1 (0.46) CA1CA2ALDH1A1KDM4EDPP7
SCHEMBL3415529 0.77 GAA (0.56) CA1CA2ALDH1A1KDM4EKMT2A
SCHEMBL1661397 0.77 KDM4E (0.54) ALDH1A1KDM4E
SCHEMBL31688687 0.76 S1PR1 (0.43) CA1CA2ALDH1A1KDM4ES1PR1
SCHEMBL22344571 0.75 AKR1B1 (0.48) CA2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL27598565 0.75 TAAR1 (0.56) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL16034258 0.74 KDM4E (0.61) CA1CA2ALDH1A1KDM4EKMT2A
SCHEMBL31688715 0.72 ALDH1A1 (0.52) CA1CA2ALDH1A1KDM4E

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
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US 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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 CA1 4401/4885CA2 3782/4885ALDH1A1 1637/4885

“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.