SCHEMBL7625818

SCHEMBL7625818

O=C1OCCN1CCCN1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.44
KDM4E B2RXH2 1/20 0.41
SIGMAR1 Q99720 3/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM1A O60341 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
XDH P47989 1/20 0.33
PIK3CD O00329 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
PLAT P00750 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL11576869 0.90 KDM4E (0.43) CXCR4KDM4ESIGMAR1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL3537189 0.88 KDM4E (0.42) CXCR4KDM4ESIGMAR1POLBSMN1; SMN2
SCHEMBL18650585 0.86 MEN1 (0.40) CXCR4KDM4ESIGMAR1POLBSMN1; SMN2
SCHEMBL10778747 0.83 HRH3 (0.43) KDM4ESMN1; SMN2PIK3CDLMNA
SCHEMBL20733166 0.78 CXCR4 (0.55) CXCR4KDM4ESIGMAR1POLBSMN1; SMN2
Pyrrolidine SCHEMBL7380973 0.76 NAAA (0.43) KDM4ESIGMAR1PIK3CD
SCHEMBL15864216 0.76 NAAA (0.41) KDM4EPLAT
SCHEMBL15864407 0.75 NAAA (0.43) KDM4EPLAT
SCHEMBL19767304 0.74 KDM4E (0.44) KDM4EPOLBPIK3CDLMNA
SCHEMBL17285928 0.73 KDM4E (0.38) KDM4EPIK3CDHTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444677-B2 TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, ETC. PFIZER INC. 2002-09-03 US disclosed
US-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists IKEDA TAKAFUMI (JP) 2001-11-29 US disclosed
EP-1106614-A1 5-Membered heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 2001-06-13 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-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, CNR2 CXCR4 112/4885KDM4E 2675/4885SIGMAR1 127/4885

“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.