SCHEMBL177449

SCHEMBL177449

CC(C)Oc1ccc(C#N)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.53
TRPV4 Q9HBA0 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PGR P06401 3/20 0.43
NR3C1 P04150 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL26127201 0.82 AR (0.49) ARTRPV4MRGPRX4CYP11B1CYP11B2
SCHEMBL4172657 0.82 AR (0.68) ARPGR
SCHEMBL27376804 0.81 AR (0.52) ARTRPV4MRGPRX4PGRNR3C1
SCHEMBL4192800 0.81 AR (0.52) ARMRGPRX4NR3C1ALDH1A1KDM4E
SCHEMBL24074650 0.80 AR (0.46) ARMRGPRX4CYP11B1CYP11B2ALDH1A1
SCHEMBL966608 0.79 AR (0.57) ARTRPV4MRGPRX4PGRALDH1A1
SCHEMBL8071507 0.79 AR (0.54) ARTRPV4MRGPRX4PGRKDM4E
SCHEMBL4206255 0.79 AR (0.57) ARTRPV4MRGPRX4PGRNR3C1
SCHEMBL3916121 0.79 AR (0.44) ARTRPV4MRGPRX4PGRNR3C1
SCHEMBL11963251 0.79 CYP11B1 (0.61) TRPV4CYP11B1CYP11B2ALDH1A1XDH

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 12 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
WO-2014063199-A1 ORGANIC COMPOUNDS AKAAL PHARMA PTY LTD (AU) 2014-05-01 WO 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
CN-102762102-A Novel oxadiazole compounds ABBOTT LAB 2012-10-31 CN disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
CN-101562977-A Novel oxadiazole compounds ABBOTT LAB (US) 2009-10-21 CN 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 AR 1134/4885TRPV4 351/4885MRGPRX4 47/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 AR 1134/4885TRPV4 351/4885MRGPRX4 47/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 AR 2207/4885TRPV4 405/4885MRGPRX4 78/4885

“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.