SCHEMBL4389026

SCHEMBL4389026

CC1CC(C)CN(CCCN2CCN(CCN3CCC(C(N)=O)CC3)C2=C(C#N)C#N)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.52
SMN1; SMN2 Q16637 3/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
DRD2 P14416 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL4383771 0.87 HRH3 (0.63) HRH3SMN1; SMN2ALDH1A1
SCHEMBL4387966 0.86 HRH3 (0.72) HRH3SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4389440 0.85 HRH3 (0.58) HRH3HRH1
SCHEMBL4384077 0.85 HRH3 (0.56) HRH3SMN1; SMN2ALDH1A1HRH1
SCHEMBL4384094 0.85 HRH3 (0.56) HRH3SMN1; SMN2ALDH1A1HSD17B10DRD2
SCHEMBL4396189 0.84 HRH3 (0.73) HRH3SMN1; SMN2USP2TSHRALDH1A1
SCHEMBL4396186 0.84 HRH3 (0.73) HRH3SMN1; SMN2USP2TSHRALDH1A1
SCHEMBL4383854 0.84 HRH3 (0.61) HRH3SMN1; SMN2ALDH1A1
SCHEMBL4389078 0.83 HRH3 (0.76) HRH3SMN1; SMN2USP2TSHRALDH1A1
SCHEMBL4383193 0.83 HRH3 (0.60) HRH3SMN1; SMN2ALDH1A1

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 452/4885SMN1; SMN2 3979/4885USP2 3520/4885

“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.