SCHEMBL9996161

SCHEMBL9996161

COC(=O)C1CN(Cc2ccc(-c3ccc(C(=O)C=C(C)c4cccc(C(F)(F)F)c4)cc3)cc2)C1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.82
S1PR5 Q9H228 4/20 0.54
KDM4E B2RXH2 2/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
GRK5 P34947 1/20 0.47
CDK8 P49336 1/20 0.47
PDGFRA P16234 1/20 0.46
CCR2 P41597 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL177436 0.90 S1PR1 (1.00) S1PR1S1PR5KDM4EOPRM1OPRD1
SCHEMBL177435 0.90 S1PR1 (1.00) S1PR1S1PR5KDM4EOPRM1OPRD1
SCHEMBL9996162 0.79 S1PR1 (0.73) S1PR1S1PR5KDM4EOPRM1OPRD1
SCHEMBL12038130 0.76 S1PR1 (0.76) S1PR1S1PR5GRK5CDK8KMT2A
SCHEMBL177565 0.74 PDCD1 (0.47) S1PR1KDM4EMEN1KMT2AALDH1A1
SCHEMBL177361 0.73 S1PR1 (0.59) S1PR1KDM4EMEN1KMT2AALDH1A1
SCHEMBL177360 0.73 S1PR1 (0.59) S1PR1KDM4EMEN1KMT2AALDH1A1
SCHEMBL3034532 0.71 S1PR5 (1.00) S1PR1S1PR5GRK5CDK8PDGFRA
SCHEMBL7961166 0.69 NPSR1 (0.55) KDM4EMEN1KMT2AGAAALDH1A1
SCHEMBL7961170 0.69 NPSR1 (0.55) KDM4EMEN1KMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 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 (3 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR5 2/4885KDM4E 1508/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR5 2/4885KDM4E 1508/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR5 3/4885KDM4E 2503/4885

“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.