SCHEMBL6674597

SCHEMBL6674597

C(CCN1CCOCC1)CN1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
KEAP1 Q14145 1/20 0.56
CXCR4 P61073 2/20 0.55
HPGD P15428 1/20 0.46
DUSP3 P51452 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.43
KDM1A O60341 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL151418 0.95 CXCR4 (0.57) SMN1; SMN2KEAP1CXCR4HPGDDUSP3
SCHEMBL416345 0.93 SMN1; SMN2 (0.50) SMN1; SMN2KEAP1CXCR4HPGDDUSP3
Hydrochloric Acid SCHEMBL27141329 0.91 GLA (0.48) SMN1; SMN2KEAP1CXCR4HPGDDUSP3
SCHEMBL3158293 0.88 CXCR4 (0.71) SMN1; SMN2KEAP1CXCR4HPGDDUSP3
SCHEMBL8614873 0.85 CXCR4 (0.70) SMN1; SMN2CXCR4HRH3SIGMAR1POLB
SCHEMBL7239607 0.85 KEAP1 (0.71) SMN1; SMN2KEAP1HPGDDUSP3HRH3
SCHEMBL10916903 0.83 KDM4E (0.55) SMN1; SMN2KEAP1HPGDDUSP3HRH3
Hydrochloric Acid SCHEMBL5570648 0.83 CXCR4 (0.67) SMN1; SMN2CXCR4HRH3SIGMAR1POLB
SCHEMBL11721752 0.83 CXCR4 (0.74) SMN1; SMN2CXCR4HRH3SIGMAR1POLB
SCHEMBL21569302 0.83 CXCR4 (0.74) SMN1; SMN2CXCR4HRH3SIGMAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP disclosed
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 (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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 SMN1; SMN2 1795/4885KEAP1 310/4885CXCR4 2181/4885
US-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, CNR2 SMN1; SMN2 3038/4885KEAP1 252/4885CXCR4 112/4885

“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.