SCHEMBL4395992

SCHEMBL4395992

CN(CCN1CCCCC1)C(=C(C#N)C#N)N1CCC(N(C)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.49
SIGMAR1 Q99720 2/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL4388093 0.80 HRH3 (0.39) HRH3SIGMAR1
SCHEMBL14401675 0.80 HRH3 (0.43) HRH3MAPT
SCHEMBL4389766 0.78 HRH3 (0.41) HRH3
SCHEMBL4387628 0.74 HRH3 (0.43) HRH3
SCHEMBL4389325 0.72 USP30 (0.37) MAPT
SCHEMBL4391600 0.71 L3MBTL3 (0.37) HRH3
SCHEMBL4391427 0.71 L3MBTL3 (0.37) HRH3
SCHEMBL4385801 0.69 HRH3 (0.43) HRH3MAPT
SCHEMBL4384560 0.69 HRH3 (0.43) HRH3MAPT
SCHEMBL2896994 0.66 L3MBTL3 (0.46) SIGMAR1

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 HRH3 452/4885SIGMAR1 984/4885MAPT 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.