SCHEMBL177212

SCHEMBL177212

CC(C)N(Cc1ccc(Br)cc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
PYCR1 P32322 4/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 1/20 0.37
EGFR P00533 2/20 0.36
ERBB2 P04626 2/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36

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
SCHEMBL29335353 0.81 TAAR1 (0.51) S1PR1TAAR1MAPK1HTTL3MBTL1
SCHEMBL20871276 0.81 TAAR1 (0.51) TAAR1MAPK1PYCR1L3MBTL1EGFR
SCHEMBL177116 0.76 S1PR1 (0.55) S1PR1TAAR1PYCR1ESR1ESR2
SCHEMBL934617 0.74 ESR1 (0.49) TAAR1CYP1A2MAPK1PYCR1ESR1
SCHEMBL13181093 0.72 TAAR1 (0.50) S1PR1TAAR1MAPK1TSHRHTT
SCHEMBL17503651 0.72 S1PR1 (0.59) S1PR1TAAR1PYCR1
SCHEMBL177322 0.72 S1PR1 (0.59) S1PR1TAAR1PYCR1
SCHEMBL20871285 0.70 TAAR1 (0.57) TAAR1PYCR1HTTCNR1CNR2
SCHEMBL13779233 0.70 S1PR1 (0.46) S1PR1TAAR1PYCR1CNR1CNR2
SCHEMBL1639815 0.70 HDAC1 (0.55) TAAR1CYP1A2MAPK1PYCR1TSHR

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 9 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
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

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 1/4885TAAR1 262/4885CYP1A2 3385/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885TAAR1 262/4885CYP1A2 3385/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885TAAR1 147/4885CYP1A2 4520/4885

“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.