SCHEMBL3373122

SCHEMBL3373122

CCCC(C)N[C]1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.56
CACNA2D1 P54289 4/20 0.37
HCAR3 P49019 1/20 0.33
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL3376056 0.91
SCHEMBL3372265 0.81 L3MBTL1 (0.46) CYP2D6CACNA2D1HCAR3KMT2ASMN1; SMN2
SCHEMBL3377421 0.79 CYP2D6 (0.40) CYP2D6
SCHEMBL3375786 0.76 CYP2D6 (0.38) CYP2D6
SCHEMBL4724388 0.72 CYP2D6 (0.47) CYP2D6CACNA2D1
SCHEMBL1824933 0.72
SCHEMBL3374420 0.70
SCHEMBL3373049 0.70 CYP2D6 (0.45) CYP2D6
SCHEMBL25398815 0.69 CYP2D6 (0.33) CYP2D6KMT2A
SCHEMBL3374353 0.69 CYP2D6 (0.34) CYP2D6

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 CYP2D6 1265/4885CACNA2D1 498/4885HCAR3 2610/4885

“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.