SCHEMBL17744153

SCHEMBL17744153

O=C1CC(=O)Nc2c(ccc3c2CCC3)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
MAPT P10636 1/20 0.43
AHR P35869 5/20 0.42
CMA1 P23946 2/20 0.42
PDK2 Q15119 1/20 0.39
EIF2AK2 P19525 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
EPHX2 P34913 1/20 0.36
GRIA1 P42261 2/20 0.36
CACNG8 Q8WXS5 2/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PKM P14618 2/20 0.35
P2RX4 Q99571 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 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
SCHEMBL31734656 0.97 AHR (0.42) PARP1MAPTAHRCMA1PDK2
SCHEMBL852124 0.77 PARP1 (0.47) PARP1MAPTGRIA1PKMNPC1
SCHEMBL18289462 0.71 AHR (0.52) AHRCMA1PDK2EIF2AK2HTR1D
SCHEMBL16405032 0.67 PARP1 (0.37) PARP1
SCHEMBL4554142 0.67 AHR (0.43) PARP1MAPTAHRCMA1PDK2
SCHEMBL2251074 0.67 PARP1 (0.57) PARP1
SCHEMBL18289475 0.66 AHR (0.59) AHRCMA1PDK2EIF2AK2PDE3B
SCHEMBL18289479 0.66 AHR (0.50) AHRCMA1PDK2EIF2AK2HTR1D
SCHEMBL31734657 0.66 CREBBP (0.58) MAPTAHRPDK2GRIA1CACNG8
SCHEMBL23944932 0.65 PARP1 (0.46) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020717-B1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO (JP) 2021-12-15 EP disclosed
US-9873683-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2018-01-23 US disclosed
US-9840497-B2 2017-12-12 US disclosed
US-20160244434-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2016-08-25 US disclosed
EP-3020717-A1 P2X4 RECEPTOR ANTAGONIST Nippon Chemiphar Co., Ltd. (JP) 2016-05-18 EP 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-20160244434-A1 P2X4 RECEPTOR ANTAGONIST P2RX1, P2RX7, P2RX2 PARP1 981/4885MAPT 4667/4885AHR 374/4885

“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.