SCHEMBL12038024

SCHEMBL12038024

Cc1cnc(N2CCCCC2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.44
CNR2 P34972 3/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
CHRM4 P08173 1/20 0.42
PHGDH O43175 1/20 0.40
GRM4 Q14833 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPY5R Q15761 1/20 0.40
SCN10A Q9Y5Y9 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
SCHEMBL17696414 0.98 POLB (0.43) OPRK1CNR2TP53MAPTPOLB
SCHEMBL24969948 0.84 HRH4 (0.51) TP53MAPTPOLBPHGDH
SCHEMBL765394 0.83 LRRK2 (0.44) OPRK1CNR2POLBGRM4
SCHEMBL2544335 0.83 CHRNB2 (0.54)
SCHEMBL16945095 0.81 CNR2 (0.53) OPRK1CNR2TP53MAPTNPC1
Hydrochloric Acid SCHEMBL30903327 0.81 CHRNB2 (0.53)
SCHEMBL21170330 0.81 OPRK1 (0.45) OPRK1TP53MAPTNPC1PKM
SCHEMBL12991619 0.79 CNR2 (0.50) OPRK1CNR2TP53MAPTNPC1
SCHEMBL17703510 0.79 OPRK1 (0.67) OPRK1CNR2MAPTNPC1PKM
SCHEMBL23625755 0.79 ALDH1A1 (0.51) OPRK1CNR2TP53MAPTPOLB

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 11 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
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US 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-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-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF 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 (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 OPRK1 1241/4885CNR2 27/4885TP53 4551/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 OPRK1 1241/4885CNR2 27/4885TP53 4551/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 OPRK1 1152/4885CNR2 41/4885TP53 4385/4885

“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.