SCHEMBL15970928

SCHEMBL15970928

COC(=O)c1ccc2c(ccn2C2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ATM Q13315 1/20 0.51
HPGD P15428 5/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
RPS6KB1 P23443 1/20 0.44
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.40

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
SCHEMBL27519949 0.99 ALDH1A1 (0.53) ALDH1A1NPSR1SMN1; SMN2ATMHPGD
SCHEMBL28169577 0.90 KDM4E (0.42) ALDH1A1NPSR1SMN1; SMN2ATMHPGD
SCHEMBL28169576 0.90 KDM4E (0.42) ALDH1A1NPSR1SMN1; SMN2ATMHPGD
SCHEMBL28849350 0.90 KDM4E (0.42) ALDH1A1NPSR1SMN1; SMN2ATMHPGD
SCHEMBL26123802 0.83 ALDH1A1 (0.54) ALDH1A1NPSR1SMN1; SMN2ATMHPGD
SCHEMBL15970687 0.83 HSD17B10 (0.58) ALDH1A1HPGDHSD17B10GAANPC1
SCHEMBL4927922 0.82 HSD17B10 (0.60) ALDH1A1HPGDKDM4EHSD17B10GAA
SCHEMBL17092719 0.81 GPR119 (0.45) ALDH1A1KDM4ETP53MAPT
SCHEMBL543803 0.78 ALDH1A1 (0.49) ALDH1A1NPSR1SMN1; SMN2ATMHPGD
SCHEMBL13841046 0.78 HTR1A (0.61) ALDH1A1NPSR1SMN1; SMN2ATMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2958913-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG CHEMICAL LTD (KR) 2018-10-03 EP disclosed
US-9540362-B2 Sphingosine-1-phosphate receptor agonists, methods of preparing the same, and pharmaceutical compositions containing the same as an active agent LG LIFE SCIENCES LTD. (KR) 2017-01-10 US disclosed
US-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2015-12-31 US disclosed
EP-2958913-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG Life Sciences Ltd. (KR) 2015-12-30 EP disclosed
CN-105051037-A Sphingosine-1-phosphate receptor agonists, method for the preparation thereof and pharmaceutical compositions comprising the same as active agent LG LIFE SCIENCES LTD 2015-11-11 CN disclosed
WO-2014129796-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2014-08-28 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-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT S1PR1, S1PR2, S1PR5 ALDH1A1 2114/4885NPSR1 206/4885SMN1; SMN2 1355/4885

“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.