SCHEMBL3376484

SCHEMBL3376484

CCCCN(CCCC)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
DRD3 P35462 5/20 0.39
DRD2 P14416 3/20 0.39
HTR1A P08908 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD4 P21917 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
GBA1 P04062 1/20 0.37
NOS2 P35228 1/20 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
SCHEMBL10416391 1.00 ADH1C (0.43) ADH1CADH1AADH4DRD3DRD2
SCHEMBL3374356 0.95 DRD3 (0.44) ADH1CADH1AADH4DRD3DRD2
SCHEMBL517191 0.90 ADH1A (0.43) ADH1CADH1AADH4DRD3DRD2
SCHEMBL3373689 0.90 ADH1C (0.41) ADH1CADH1AADH4DRD3DRD2
SCHEMBL6967318 0.89 ADH1C (0.37) ADH1CADH1AADH4DRD3DRD2
SCHEMBL6961343 0.89 ADH1C (0.37) ADH1CADH1AADH4DRD3DRD2
SCHEMBL8397203 0.89 GBA1 (0.39) ADH1CADH1AADH4DRD3DRD2
SCHEMBL6680792 0.89 GNAI3 (0.37) ADH1CADH1AADH4DRD3DRD2
SCHEMBL627799 0.87 ADH1A (0.45) ADH1CADH1AADH4DRD3DRD2
SCHEMBL12663274 0.87 DRD3 (0.43) ADH1CADH1ADRD3DRD2HTR1A

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 ADH1C 511/4885ADH1A 412/4885ADH4 1260/4885

“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.