SCHEMBL4396102

SCHEMBL4396102

N#CCS(=O)(=O)/C=C1\N(CCCN2CCCCC2)CCN1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.40
CHRM2 P08172 4/20 0.38
CHRM3 P20309 4/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 1/20 0.38
CYP2D6 P10635 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
APP P05067 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL4396106 1.00 HRH3 (0.40) HRH3CHRM2CHRM3RECQLSMN1; SMN2
SCHEMBL4386356 0.81 HRH3 (0.36) HRH3
SCHEMBL4386358 0.81 HRH3 (0.36) HRH3
Hydrochloric Acid SCHEMBL4385808 0.81 HRH3 (0.37) HRH3
Hydrochloric Acid SCHEMBL4385820 0.81 HRH3 (0.37) HRH3
SCHEMBL4384561 0.78 HRH3 (0.49) HRH3SMN1; SMN2
SCHEMBL4396105 0.78 HRH3 (0.42) HRH3CHRM2CHRM3RECQLSMN1; SMN2
SCHEMBL4382972 0.77 HRH3 (0.56) HRH3DPP7DRD2DRD4DRD3
SCHEMBL4391299 0.72 HRH3 (0.52) HRH3F10DPP7DRD2DRD4
SCHEMBL4382962 0.71 HRH3 (0.54) HRH3CHRM2CHRM3DRD2DRD4

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 452/4885CHRM2 3744/4885CHRM3 3431/4885

“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.