SCHEMBL15134605

SCHEMBL15134605

N#CCC(=O)c1cccc(OCC2CCCCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.54
XDH P47989 3/20 0.43
PTGER1 P34995 5/20 0.41
CDK2 P24941 3/20 0.39
CCNA2 P20248 2/20 0.39
CCNA1 P78396 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
MCHR1 Q99705 1/20 0.38
CDK1 P06493 1/20 0.38

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
SCHEMBL15129281 1.00 CNR2 (0.54) CNR2XDHPTGER1CDK2CCNA2
SCHEMBL15129249 0.99 CNR2 (0.52) CNR2XDHPTGER1CDK2CCNA2
SCHEMBL15128977 0.88 CNR2 (0.47) CNR2XDH
SCHEMBL15129239 0.82 FFAR4 (0.42) CNR2FFAR4
SCHEMBL15129314 0.82 FFAR4 (0.42) CNR2FFAR4
SCHEMBL12420758 0.82 CNR2 (0.60) CNR2XDHPTGER1CDK2CCNA2
SCHEMBL15129152 0.82 CNR2 (0.46) CNR2
SCHEMBL15129240 0.81 XDH (0.45) CNR2XDHCDK2CCNA2CCNA1
SCHEMBL15134602 0.80 CNR2 (0.58) CNR2PTGER1CDK2CCNA2CCNA1
SCHEMBL15129049 0.79 GRIN2B (0.49) CNR2

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
US-9447078-B2 Substituted heterocyclic compounds for disease treatment ACUCELA INC. (US) 2016-09-20 US disclosed
US-9447078-B2 Substituted heterocyclic compounds for disease treatment ACUCELA INC. (US) 2016-09-20 US disclosed
US-20130225619-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2013-08-29 US disclosed
US-20130225619-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2013-08-29 US disclosed
WO-2013109991-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2013-07-25 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-20130225619-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT CLN6, ALDH1A2, PDE6D CNR2 1376/4885XDH 78/4885PTGER1 212/4885

“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.