SCHEMBL3377433

SCHEMBL3377433

CCCCN(CCC)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.45
ADH1C P00326 1/20 0.45
DRD3 P35462 7/20 0.42
DRD2 P14416 5/20 0.42
HTR1A P08908 2/20 0.42
DRD4 P21917 3/20 0.42
CYP1A2 P05177 1/20 0.38

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
SCHEMBL12663274 0.98 DRD3 (0.43) ADH1AADH1CDRD3DRD2HTR1A
SCHEMBL517191 0.95 ADH1A (0.43) ADH1AADH1CDRD3DRD2HTR1A
SCHEMBL15508594 0.93 DRD3 (0.44) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL627799 0.93 ADH1A (0.45) ADH1AADH1CDRD3DRD2HTR1A
SCHEMBL24438350 0.91 DRD3 (0.46) ADH1AADH1CDRD3DRD2DRD4
Fluoride SCHEMBL9620624 0.91 ADH1A (0.44) ADH1AADH1CDRD3DRD2HTR1A
Bromide SCHEMBL28388955 0.91 ADH1A (0.44) ADH1AADH1CDRD3DRD2HTR1A
SCHEMBL3374356 0.91 DRD3 (0.44) ADH1AADH1CDRD3DRD2HTR1A
SCHEMBL516016 0.91 ADH1A (0.52) ADH1AADH1CDRD3DRD2HTR1A
SCHEMBL10659147 0.90 DRD3 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI ADH1A 412/4885ADH1C 511/4885DRD3 2098/4885

“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.