SCHEMBL4075589

SCHEMBL4075589

c1nc2n(n1)CCNCC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR2C P28335 8/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HTR2A P28223 3/20 0.32
PLD1 Q13393 2/20 0.32
HTT P42858 1/20 0.31
ADRB2 P07550 2/20 0.31
NCF1 P14598 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
CXCR4 P61073 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL4073821 0.82
SCHEMBL166943 0.82
Hydrochloric Acid SCHEMBL3908377 0.80 KDM4E (0.34) KDM4EALDH1A1HTR2CHTT
Potassium SCHEMBL31514255 0.80 PDCD1 (0.33) KDM4EALDH1A1HTR2CHTT
SCHEMBL4073344 0.74
SCHEMBL4072814 0.72
SCHEMBL4066286 0.71
SCHEMBL4070710 0.71 CHRNB2 (0.31) HTTCXCR4CHRNB2CHRNA4
Trifluoroacetic Acid SCHEMBL29693734 0.69 HRH4 (0.36) HTR2CHRH3HTR2AHRH4
SCHEMBL4073713 0.68 HRH1 (0.38) KDM4EALDH1A1HTR2CHTR2APLD1

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 KDM4E 4564/4885ALDH1A1 297/4885HTR2C 3359/4885

“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.