SCHEMBL3853256

SCHEMBL3853256

Cc1ccc(CN(C=O)C2CCC(CN)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
TAS2R14 Q9NYV8 4/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CNR1 P21554 4/20 0.33
CNR2 P34972 4/20 0.33
ADH1C P00326 3/20 0.33
ADH1A P07327 3/20 0.33
KCNH2 Q12809 1/20 0.33
ADH4 P08319 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MC4R P32245 1/20 0.32
MC5R P33032 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL3240531 0.73 SLC6A2 (0.44) SLC6A2SLC6A4ADH1CADH1AADH4
SCHEMBL7248078 0.73 ADH1A (0.47) SLC6A2SLC6A4ADH1CADH1A
SCHEMBL3851542 0.72 CNR2 (0.55) TAS2R14CNR1CNR2
SCHEMBL3855992 0.72 TAS2R14 (0.58) TAS2R14CNR1CNR2
SCHEMBL3861362 0.71 TAS2R14 (0.52) TAS2R14CNR1CNR2
SCHEMBL3850131 0.70 TAS2R14 (0.44) TAS2R14CNR1CNR2
SCHEMBL3855987 0.70 TAS2R14 (0.53) TAS2R14CNR1CNR2
SCHEMBL3853114 0.70 TAS2R14 (0.61) TAS2R14CNR1CNR2
SCHEMBL14855420 0.68 G6PC1 (0.46) SLC6A2SLC6A4ADH1CADH1A
SCHEMBL20625943 0.68 CXCR4 (0.53)

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-7579504-B2 ABCA1 elevating compounds GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
US-20070203245-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-30 US disclosed
WO-2007067817-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-06-14 WO 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-20070203245-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP KDM1A 4752/4885TAS2R14 4736/4885SLC6A2 763/4885

“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.