SCHEMBL7625809

SCHEMBL7625809

NC(=O)C1(CCN2CCNCC2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.37
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.34
ANPEP P15144 1/20 0.34
ERAP2 Q6P179 1/20 0.34
MEN1 O00255 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
RAD52 P43351 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.32
CHKA P35790 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 1/20 0.31
PADI1 Q9ULC6 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
SCHEMBL7627431 0.78 SIGMAR1 (0.38) CXCR4CHRM5CHRM3HSD17B10KMT2A
SCHEMBL4989467 0.73 POLB (0.44) CXCR4POLBSMN1; SMN2HSD17B10RAD52
SCHEMBL7631476 0.72 TSHR (0.55) SMN1; SMN2KMT2ASIGMAR1ALDH1A1
SCHEMBL4993541 0.72 POLB (0.42) CXCR4POLBSMN1; SMN2HSD17B10RAD52
SCHEMBL5325425 0.69 CYP2C19 (0.45) POLBSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL1900720 0.69 L3MBTL1 (0.63) CXCR4CHRM5CHRM3POLBSMN1; SMN2
Carbamic Acid SCHEMBL10977422 0.67 ALOX15 (0.48) CXCR4CHRM5CHRM3POLBSMN1; SMN2
SCHEMBL613914 0.67 L3MBTL1 (0.50) CXCR4CHRM5CHRM3POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL38659089 0.67 POLB (0.41) CXCR4CHRM5CHRM3POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL8742997 0.67 L3MBTL1 (0.61) CXCR4CHRM5CHRM3POLBSMN1; SMN2

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 112/4885CHRM5 337/4885CHRM3 417/4885

“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.