SCHEMBL3376642

SCHEMBL3376642

CCCN(Cc1ccccc1)C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
RAB9A P51151 1/20 0.57
DRD2 P14416 3/20 0.54
DRD3 P35462 3/20 0.54
HTR1D P28221 2/20 0.49
HTR1B P28222 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
GRIN2B Q13224 1/20 0.47
HTR1A P08908 1/20 0.45
LTA4H P09960 1/20 0.45

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
SCHEMBL3373916 0.93 KMT2A (0.60) KMT2AMEN1RAB9ADRD2DRD3
SCHEMBL3373703 0.90 KMT2A (0.67) KMT2AMEN1RAB9ADRD2DRD3
SCHEMBL3375958 0.86 GRIN2B (0.60) KMT2AMEN1RAB9AALDH1A1SLC6A2
SCHEMBL3373138 0.85 SLC6A2 (0.51) KMT2AMEN1RAB9AALDH1A1SLC6A2
SCHEMBL9455273 0.84 GRIN2B (0.58) KMT2AMEN1RAB9AALDH1A1SLC6A2
SCHEMBL28410816 0.83 G6PC1 (0.54) KMT2AMEN1RAB9AALDH1A1SLC6A2
SCHEMBL515999 0.83 G6PC1 (0.54) KMT2AMEN1RAB9AALDH1A1SLC6A2
SCHEMBL7885548 0.83 G6PC1 (0.54) KMT2AMEN1RAB9AALDH1A1SLC6A2
SCHEMBL18828594 0.83 LTA4H (0.60) KMT2AMEN1RAB9AALDH1A1SLC6A2
SCHEMBL13017781 0.83 SLC6A2 (0.53) KMT2AMEN1RAB9AALDH1A1SLC6A2

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 KMT2A 4670/4885MEN1 2985/4885RAB9A 3319/4885

“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.