SCHEMBL10139265

SCHEMBL10139265

CN(CCCc1ccc(CCC(N)(CO)CO)cc1)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.57
TNNC1 P63316 6/20 0.54
S1PR3 Q99500 6/20 0.54
S1PR4 O95977 3/20 0.54
S1PR5 Q9H228 2/20 0.54
SGPL1 O95470 1/20 0.54
GPR183 P32249 1/20 0.54
CERS2 Q96G23 1/20 0.54
SPHK2 Q9NRA0 2/20 0.44
SPHK1 Q9NYA1 1/20 0.44
AOC3 Q16853 1/20 0.43
S1PR2 O95136 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ENPP2 Q13822 1/20 0.41

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
Hydrochloric Acid SCHEMBL565883 0.99 S1PR1 (0.56) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8496519 0.84 S1PR1 (0.69) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8499802 0.84 S1PR1 (0.69) S1PR1TNNC1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL8498765 0.83 S1PR1 (0.70) S1PR1TNNC1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL8500518 0.81 S1PR1 (0.76) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8525809 0.73 S1PR1 (0.57) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL566742 0.73 S1PR1 (1.00) S1PR1TNNC1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL565761 0.71 S1PR1 (0.97) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL3393539 0.70 S1PR1 (1.00) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL3390328 0.70 S1PR1 (1.00) S1PR1TNNC1S1PR3S1PR4S1PR5

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
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 S1PR1 1/4885TNNC1 4849/4885S1PR3 3/4885

“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.