SCHEMBL13745011

SCHEMBL13745011

CCCN(C)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
ADH1A P07327 3/20 0.33
ADH1C P00326 2/20 0.33
HTR1D P28221 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ADH4 P08319 1/20 0.31
HTR2A P28223 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
SCHEMBL4756560 0.90
SCHEMBL95571 0.90
Hydrochloric Acid SCHEMBL6609957 0.87
SCHEMBL21689392 0.86 ADH1C (0.37) KDM4EADH1AADH1CADH4
SCHEMBL8279455 0.82
SCHEMBL4754736 0.82
SCHEMBL13744841 0.81 ALDH1A1 (0.38) KDM4EALDH1A1POLBRECQLHTR2A
SCHEMBL13744789 0.80 KDM4E (0.34) DRD2DRD4DRD3KDM4E
SCHEMBL13475074 0.80 KDM4E (0.34) DRD2DRD4DRD3KDM4E
SCHEMBL3372270 0.80 ADH1A (0.50) DRD2DRD4DRD3KDM4EADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 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-20090209511-A1 Benzofuran Derivatives F12, F2, F3 DRD2 2276/4885DRD4 1654/4885DRD3 1367/4885

“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.