SCHEMBL938504

SCHEMBL938504

CC1CC1CNC(=O)c1ccc(Cl)nn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NAMPT P43490 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL938902 0.81 NAMPT (0.47) JUNNFKB1NFKB2RELANAMPT
SCHEMBL938811 0.80 CNR1 (0.53) JUNNFKB1NFKB2RELANAMPT
SCHEMBL20152022 0.77 JUN (0.48) JUNNFKB1NFKB2RELAMEN1
SCHEMBL8310937 0.74 NPC1 (0.47) JUNNFKB1NFKB2RELAMEN1
SCHEMBL8310344 0.73 JUN (0.48) JUNNFKB1NFKB2RELAKMT2A
SCHEMBL20460443 0.73 HPGD (0.49) JUNNFKB1NFKB2RELAKMT2A
SCHEMBL20460466 0.73 JUN (0.48) JUNNFKB1NFKB2RELAKMT2A
SCHEMBL937257 0.72 SCD (0.52) JUNNFKB1NFKB2RELAMAOB
SCHEMBL936146 0.72 JUN (0.47) JUNNFKB1NFKB2RELAKMT2A
SCHEMBL8308548 0.72 HPGD (0.54) JUNNFKB1NFKB2RELA

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
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP disclosed
US-7964591-B2 Pyridazine derivatives and their use as therapeutic agents NOVARTIS PHARMA AG (CH) 2011-06-21 US disclosed
EP-2316827-A1 Piperazine derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP disclosed
US-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS XENON PHARMACEUTICALS INC. (CA) 2011-01-27 US 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-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS PRXL2A, CUTA, MC1R JUN 4366/4885NFKB1 2447/4885NFKB2 3685/4885

“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.