SCHEMBL13397259

SCHEMBL13397259

CC(C)N(C1CCNCC1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.36
SLC6A4 P31645 14/20 0.36
SLC6A3 Q01959 8/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31

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
SCHEMBL9963391 0.84 ADH1B (0.39) ADH1BADH1CADH1A
SCHEMBL23368252 0.81 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL25075545 0.78 ADH1A (0.46) ADH1BADH1CADH1A
SCHEMBL13397254 0.77 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL5646119 0.75 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL12250815 0.74 ADH1A (0.54) ADH1BADH1CADH1A
SCHEMBL4593257 0.73 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3NOS3NOS1
Hydrochloric Acid SCHEMBL28747733 0.73 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL13397409 0.72 ADH1B (0.32) ADH1BADH1CADH1A
SCHEMBL1009314 0.70 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 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-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD SLC6A2 4862/4885SLC6A4 4793/4885SLC6A3 4769/4885

“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.