SCHEMBL566304

SCHEMBL566304

CC(C)Oc1cc(CCN)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
TAAR1 Q96RJ0 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 3/20 0.38
GLA P06280 1/20 0.38
CSNK2A1 P68400 2/20 0.37
KCNH2 Q12809 7/20 0.35
TMEM97 Q5BJF2 7/20 0.35
SIGMAR1 Q99720 7/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL565403 0.90 KDM4E (0.40) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL566311 0.84 CNR1 (0.42) MAPK1LMNACSNK2A1MEN1KMT2A
SCHEMBL566214 0.75 POLB (0.43) KDM4EATMTSHRMAPK1LMNA
SCHEMBL566216 0.74 HDAC11 (0.38) TAAR1CSNK2A1HDAC11
SCHEMBL7310155 0.74 KDM4E (0.59) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL565245 0.74 HDAC11 (0.43) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL10139272 0.73 S1PR1 (0.39) LMNAKCNH2TMEM97SIGMAR1CYP3A4
Hydrochloric Acid SCHEMBL566087 0.72 S1PR1 (0.39) LMNAKCNH2TMEM97SIGMAR1CYP3A4
SCHEMBL566215 0.72 HDAC11 (0.38) TAAR1LMNACSNK2A1MEN1KMT2A
SCHEMBL7691709 0.72 HDAC11 (0.42) LMNACSNK2A1MEN1KMT2AHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS 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 (1 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 KDM4E 1701/4885ATM 3271/4885TAAR1 526/4885

“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.