SCHEMBL6604716

SCHEMBL6604716

C1CCN(C2(CN3CCNCC3)CCCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 4/20 0.34
▸ SIGMAR1 Q99720 2/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ POLB P06746 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SLC6A2 P23975 4/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ CCR2 P41597 1/20 0.31
▸ CXCL12 P48061 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ SOS1 Q07889 1/20 0.31
▸ SOS2 Q07890 1/20 0.31
▸ HCN1 O60741 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
SCHEMBL6591698 0.75 CXCR4 (0.41) CXCR4SIGMAR1KDM1APOLBSMN1; SMN2
SCHEMBL6591703 0.75 CXCR4 (0.41) CXCR4SIGMAR1KDM1APOLBSMN1; SMN2
SCHEMBL16511259 0.69 HCN1 (0.36) KMT2ASOS1SOS2HCN1HCN3
SCHEMBL9690498 0.69 RAD52 (0.38) CXCR4POLBSMN1; SMN2SLC6A2SLC6A4
SCHEMBL20217599 0.67 GAA (0.33) KMT2AHCN1HCN3HCN2HCN4
SCHEMBL21919487 0.67 CXCR4 (0.36) CXCR4SIGMAR1KDM1APOLBSMN1; SMN2
SCHEMBL14279708 0.67 HCN1 (0.34) SOS1SOS2HCN1HCN3HCN2
SCHEMBL26077291 0.66 PDE4A (0.39) CXCR4SIGMAR1POLBSMN1; SMN2MEN1
SCHEMBL15716316 0.65 HCN1 (0.34) POLBHCN1HCN3HCN2HCN4
SCHEMBL7620174 0.65 SMN1; SMN2 (0.41) CXCR4POLBSMN1; SMN2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1106614-B1 5-Membered heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER (US) 2004-01-07 — — 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 (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 112/4885SIGMAR1 127/4885KDM1A 2493/4885

“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.

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