SCHEMBL3373144

SCHEMBL3373144

CCCN(CC)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 3/20 0.48
ADH1C P00326 2/20 0.48
DRD3 P35462 8/20 0.40
DRD2 P14416 6/20 0.40
DRD4 P21917 5/20 0.40
HTR1A P08908 1/20 0.36
FYN P06241 3/20 0.35

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
SCHEMBL8916450 0.98 ADH1A (0.50) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL17439391 0.91 ADH1A (0.48) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL3370178 0.90
SCHEMBL516016 0.90 ADH1A (0.52) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL516269 0.87 ADH1A (0.54) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL11073680 0.87 ADH1A (0.54) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL22541111 0.87 ADH1A (0.54) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL15865807 0.87 DRD3 (0.48) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL3375793 0.86 ADH1A (0.41) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL22536991 0.84 ADH1A (0.42) ADH1AADH1CDRD3DRD2DRD4

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-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 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 (3 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-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 ADH1A 1132/4885ADH1C 1012/4885DRD3 531/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI ADH1A 412/4885ADH1C 511/4885DRD3 2098/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 ADH1A 1132/4885ADH1C 1012/4885DRD3 531/4885

“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.