SCHEMBL3563316

SCHEMBL3563316

CCCN(CCC)CCN1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.43
HRH3 Q9Y5N1 1/20 0.36
PAOX Q6QHF9 1/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
GNAI3 P08754 2/20 0.33
GNAO1 P09471 2/20 0.33
GNAI1 P63096 2/20 0.33
HTR1A P08908 1/20 0.32

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
SCHEMBL25565976 0.91 SIGMAR1 (0.39) SIGMAR1HRH3DRD2HTR1A
SCHEMBL22343617 0.85 SIGMAR1 (0.35) SIGMAR1HRH3DRD2DRD3HTR1A
SCHEMBL1488103 0.84 SIGMAR1 (0.38) SIGMAR1PAOXDRD2HTR1A
SCHEMBL13701722 0.84 SIGMAR1 (0.55) SIGMAR1HRH3DRD2
SCHEMBL18220631 0.84 GNAI3 (0.44) SIGMAR1PAOXGNAI3GNAO1GNAI1
SCHEMBL19040784 0.84 GNAI3 (0.44) SIGMAR1PAOXGNAI3GNAO1GNAI1
SCHEMBL26492955 0.84 GNAI3 (0.44) SIGMAR1PAOXGNAI3GNAO1GNAI1
SCHEMBL13962700 0.82 SIGMAR1 (0.54) SIGMAR1HRH3DRD2
SCHEMBL21348650 0.82 SIGMAR1 (0.41) SIGMAR1
SCHEMBL12359043 0.81 SIGMAR1 (0.38) SIGMAR1HRH3PAOXGNAI3GNAO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020146470-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY (US) 2020-07-16 WO disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-7524852-B2 Bicyclic pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-04-28 US disclosed
US-7524852-B2 Bicyclic pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-04-28 US disclosed
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-02-15 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 (2 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-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection CX3CR1, CCL5, CCRL2 SIGMAR1 1413/4885HRH3 137/4885PAOX 2889/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 SIGMAR1 1460/4885HRH3 338/4885PAOX 3317/4885

“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.