SCHEMBL4389325

SCHEMBL4389325

CSC(=C(C#N)C#N)N1CCC(N(C)c2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.37
KDM1A O60341 2/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
HRH1 P35367 1/20 0.34
CCR5 P51681 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.32
NMT1 P30419 1/20 0.32
OPRM1 P35372 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
SCHEMBL2896994 0.73 L3MBTL3 (0.46) KDM1AMAOAMAOBHRH1CCR5
SCHEMBL6955077 0.72 NOTUM (0.42) MAOAMAOBMAPTHTT
SCHEMBL4395992 0.72 HRH3 (0.49) MAPT
SCHEMBL4388093 0.71 HRH3 (0.39)
SCHEMBL4397596 0.70 OPRM1 (0.37) USP30MAOAMAOBHRH1OPRM1
SCHEMBL901151 0.69 HTR2A (0.54) HRH1NMT1OPRM1
SCHEMBL2792425 0.68 MEN1 (0.60) USP30
SCHEMBL23630440 0.68 LIPE (0.42) USP30
SCHEMBL1720308 0.68 HTT (0.41) HRH1MAPTHTT
SCHEMBL13985725 0.67 KMT2A (0.54) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 USP30 2180/4885KDM1A 449/4885MAOA 1592/4885

“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.