SCHEMBL4386733

SCHEMBL4386733

CC1CN(CCCN2CCN(C3CCN(C(C)C)CC3)C2=C(C#N)C#N)CC(C)O1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.42
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL4386729 1.00 HRH3 (0.42) HRH3EBPSIGMAR1KDM4ETDP1
SCHEMBL4383770 0.85 HRH3 (0.47) HRH3
SCHEMBL4388559 0.85 HRH3 (0.61) HRH3MAPT
SCHEMBL13788007 0.83 HRH3 (0.46) HRH3LMNAMEN1MAPTKMT2A
SCHEMBL4388044 0.82 HRH3 (0.40) HRH3LMNAMEN1MAPTKMT2A
SCHEMBL4388482 0.82 HRH3 (0.45) HRH3
SCHEMBL4390856 0.82 HRH3 (0.45) HRH3
SCHEMBL4382863 0.81 HRH3 (0.41) HRH3
SCHEMBL4386679 0.80 HRH3 (0.59) HRH3
SCHEMBL4389011 0.80 HRH3 (0.56) HRH3LMNAMEN1MAPTKMT2A

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 1 patent. 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

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 452/4885EBP 538/4885SIGMAR1 984/4885

“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.