SCHEMBL4067122

SCHEMBL4067122

c1cn2c(n1)CCCNC2

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.37
DRD4 P21917 1/20 0.33
ADRA1D P25100 1/20 0.32
HRH1 P35367 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
SCHEMBL667621 0.88
SCHEMBL19741741 0.77 HRH1 (0.37) ADRA1AHRH1
SCHEMBL712267 0.74
SCHEMBL238844 0.72
SCHEMBL4073713 0.72 HRH1 (0.38) ADRA1AHRH1
SCHEMBL23335459 0.71 PDPK1 (0.45) ADRA1ADRD4ADRA1D
SCHEMBL12604725 0.71 PDPK1 (0.45) ADRA1ADRD4ADRA1D
Ammonia Solution, Strong SCHEMBL29261101 0.71 PDPK1 (0.45) ADRA1ADRD4ADRA1D
Hydrochloric Acid SCHEMBL5598004 0.71 PDPK1 (0.45) ADRA1ADRD4ADRA1D
SCHEMBL173406 0.71 PDPK1 (0.45) ADRA1ADRD4ADRA1D

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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 ADRA1A 557/4885DRD4 2414/4885ADRA1D 445/4885

“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.