SCHEMBL4388559

SCHEMBL4388559

CC(C)N1CCC(N2CCN(CCCN3CCCCC3)C2=C(C#N)C#N)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.61
MAPT P10636 1/20 0.35
NSD2 O96028 3/20 0.34
EHMT2 Q96KQ7 3/20 0.34
PRMT1 Q99873 1/20 0.33
EHMT1 Q9H9B1 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
SCHEMBL4389011 0.94 HRH3 (0.56) HRH3MAPTNSD2EHMT2PRMT1
SCHEMBL4383394 0.93 HRH3 (0.59) HRH3
SCHEMBL4383770 0.89 HRH3 (0.47) HRH3NSD2
SCHEMBL13788007 0.89 HRH3 (0.46) HRH3MAPT
SCHEMBL4384351 0.89 HRH3 (0.67) HRH3MAPT
SCHEMBL4390856 0.88 HRH3 (0.45) HRH3NSD2
SCHEMBL4388482 0.88 HRH3 (0.45) HRH3
SCHEMBL4388044 0.86 HRH3 (0.40) HRH3MAPT
SCHEMBL5500809 0.86 HRH3 (0.46) HRH3MAPTNSD2EHMT2PRMT1
SCHEMBL4386733 0.85 HRH3 (0.42) HRH3MAPT

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
US-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 HRH3 452/4885MAPT 4474/4885NSD2 557/4885

“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.