SCHEMBL4993541

SCHEMBL4993541

OC1(CCN2CCNCC2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CXCR4 P61073 2/20 0.41
RAD52 P43351 1/20 0.40
SLC6A2 P23975 12/20 0.39
SLC6A4 P31645 5/20 0.39
HSD17B10 Q99714 1/20 0.38
SOS1 Q07889 1/20 0.37
SOS2 Q07890 1/20 0.37
SLC6A3 Q01959 3/20 0.36

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
SCHEMBL4989467 0.98 POLB (0.44) POLBSMN1; SMN2CXCR4RAD52SLC6A2
SCHEMBL7088927 0.84 HRH3 (0.42) POLBSMN1; SMN2
SCHEMBL27097480 0.84 HRH3 (0.42) POLBSMN1; SMN2
SCHEMBL7091537 0.81 HRH3 (0.39) POLBSMN1; SMN2
SCHEMBL29889633 0.79 HRH3 (0.42) POLBSMN1; SMN2
SCHEMBL30472862 0.72 RAD52 (0.40) SMN1; SMN2CXCR4RAD52SLC6A2SLC6A4
SCHEMBL7625809 0.72 CXCR4 (0.37) POLBSMN1; SMN2CXCR4RAD52SLC6A2
SCHEMBL7091824 0.70 HRH3 (0.30)
SCHEMBL6913246 0.69 CXCR4 (0.60) POLBSMN1; SMN2CXCR4RAD52HSD17B10
SCHEMBL28078047 0.69 CXCR4 (0.60) POLBSMN1; SMN2CXCR4RAD52HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227850-A1 USE OF NOREPINEPHRINE REUPTAKE MODULATORS FOR PREVENTING AND TREATING VASOMOTOR SYMPTOMS WYETH (US) 2008-09-18 US disclosed
US-7345096-B2 Use of norepinephrine reuptake modulators for preventing and treating vasomotor symptoms WYETH (US) 2008-03-18 US 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
US-5047406-A Substituted cyclohexanols as central nervous system agents WARNER-LAMBERT CO. (US) 1991-09-10 US 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 POLB 4321/4885SMN1; SMN2 3038/4885CXCR4 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.