SCHEMBL177226

SCHEMBL177226

CC(C)N(CCCc1ccc(C=O)cc1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TAAR1 Q96RJ0 2/20 0.39
ALDH3A1 P30838 1/20 0.39
ALDH1A3 P47895 1/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2A13 Q16696 1/20 0.38
AOC3 Q16853 1/20 0.37
S1PR1 P21453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL177116 0.81 S1PR1 (0.55) ALDH1A1TAAR1ALDH3A1ALDH1A3KMT2A
SCHEMBL14939969 0.73 ALDH1A1 (0.59) ALDH1A1ALDH3A1ALDH1A3KMT2ALMNA
Hydrochloric Acid SCHEMBL177474 0.73 LMNA (0.40) ALDH1A1TAAR1KMT2ALMNAKCNH2
SCHEMBL7975911 0.72 CYP2A6 (0.50) ALDH1A1TAAR1ALDH3A1ALDH1A3LMNA
SCHEMBL353211 0.71 TAAR1 (0.40) ALDH1A1TAAR1KMT2AS1PR1MAPT
SCHEMBL4054714 0.70 CYP2A6 (0.48) ALDH1A1ALDH3A1ALDH1A3KMT2ACYP2A6
SCHEMBL13181093 0.69 TAAR1 (0.50) ALDH1A1TAAR1KMT2ALMNAS1PR1
SCHEMBL176960 0.69 TAAR1 (0.38) ALDH1A1TAAR1ALDH3A1ALDH1A3KMT2A
SCHEMBL3373957 0.69 ALDH1A1 (0.53) ALDH1A1ALDH3A1ALDH1A3LMNACYP2A6
SCHEMBL9607165 0.69 KMT2A (0.61) ALDH1A1TAAR1ALDH3A1ALDH1A3KMT2A

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 ALDH1A1 3172/4885TAAR1 262/4885ALDH3A1 3859/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 ALDH1A1 3172/4885TAAR1 262/4885ALDH3A1 3859/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 ALDH1A1 3392/4885TAAR1 147/4885ALDH3A1 4145/4885

“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.