SCHEMBL4394012

SCHEMBL4394012

CC(C)N1CCC(N2CCN(CCCOCc3ccccc3)C2=C(C#N)C#N)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TEAD3 Q99594 2/20 0.36
HRH3 Q9Y5N1 12/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
NSD2 O96028 1/20 0.33
GBA1 P04062 2/20 0.33
UGCG Q16739 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
KCNH2 Q12809 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
SCHEMBL4388044 0.80 HRH3 (0.40) MEN1LMNAMAPTKMT2AHRH3
SCHEMBL4383770 0.75 HRH3 (0.47) HRH3CTSKNSD2
SCHEMBL13788007 0.75 HRH3 (0.46) MEN1LMNAMAPTKMT2AHRH3
SCHEMBL4388482 0.74 HRH3 (0.45) HRH3KCNH2
SCHEMBL4390856 0.74 HRH3 (0.45) HRH3NSD2
SCHEMBL4386679 0.74 HRH3 (0.59) HRH3
SCHEMBL4383394 0.74 HRH3 (0.59) HRH3KCNH2
SCHEMBL4386733 0.73 HRH3 (0.42) MEN1LMNAMAPTKMT2AHRH3
SCHEMBL4386729 0.73 HRH3 (0.42) MEN1LMNAMAPTKMT2AHRH3
SCHEMBL4384577 0.73 DRD2 (0.45) HRH3

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 MEN1 3396/4885LMNA 3566/4885MAPT 4474/4885

“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.