SCHEMBL15056529

SCHEMBL15056529

CC(C)CCOC(=O)N1C=Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.39
PPARG P37231 1/20 0.37
HDAC3 O15379 1/20 0.37
NAMPT P43490 6/20 0.35
HTT P42858 1/20 0.35
CYP19A1 P11511 1/20 0.35
HSD17B3 P37058 1/20 0.34
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR1H2 P55055 1/20 0.33
SLC22A1 O15245 1/20 0.33
P2RY12 Q9H244 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL324125 0.87 P2RX4 (0.53) P2RX4HDAC3NAMPTHSD17B3
SCHEMBL5721697 0.85 ALDH1A1 (0.41) P2RX4HDAC3NAMPTHTTHSD17B3
SCHEMBL323769 0.84 TSHR (0.42) P2RX4HDAC3NAMPTHTTHSD17B3
SCHEMBL15056964 0.84 HDAC3 (0.41) HDAC3NAMPTHSD17B3MAPK1LMNA
SCHEMBL29493251 0.84 HDAC3 (0.41) HDAC3NAMPTHSD17B3MAPK1LMNA
SCHEMBL324190 0.83 BCHE (0.44) HDAC3NAMPTMAPK1HSD17B10LMNA
SCHEMBL15056629 0.82 HDAC3 (0.39) P2RX4HDAC3HSD17B3CTDSP1TDP1
SCHEMBL17061200 0.81 P2RX4 (0.41) P2RX4HDAC3NAMPTHTTHSD17B3
SCHEMBL15056675 0.81 HDAC3 (0.36) P2RX4HDAC3NAMPTHSD17B3MAPK1
SCHEMBL3628702 0.81 P2RX4 (0.46) P2RX4HDAC3NAMPTHSD17B3MAPK1

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-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
EP-2794563-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-10-29 EP disclosed
WO-2013093842-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2013-06-27 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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 P2RX4 179/4885PPARG 56/4885HDAC3 1468/4885

“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.