SCHEMBL4131642

SCHEMBL4131642

O=C(O)NC1CCN(CCn2c(=O)ccc3cnccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.42
SIGMAR1 Q99720 3/20 0.40
DRD4 P21917 1/20 0.38
JAK3 P52333 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 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
SCHEMBL4131109 0.91 KCNH2 (0.43) KCNH2SIGMAR1DRD4JAK3
SCHEMBL922048 0.84 CNR2 (0.48) KCNH2SIGMAR1DRD4
SCHEMBL11968785 0.81 L3MBTL1 (0.44) KCNH2DRD4
SCHEMBL11968812 0.81 BRPF1 (0.42) KCNH2SIGMAR1DRD4
SCHEMBL2700551 0.80 KCNH2 (0.45) KCNH2
SCHEMBL706100 0.79 KCNH2 (0.45) KCNH2SIGMAR1DRD4
SCHEMBL921593 0.79 CNR2 (0.46) KCNH2
SCHEMBL4143945 0.78 CNR2 (0.52) DRD4JAK3
SCHEMBL2689434 0.78 KCNH2 (0.47) KCNH2SIGMAR1
SCHEMBL10313824 0.77 KCNA3 (0.47) KCNH2

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-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 KCNH2 248/4885SIGMAR1 756/4885DRD4 310/4885

“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.