SCHEMBL3373523

SCHEMBL3373523

CCCCN(Cc1ccccc1)[C]1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
TSHR P16473 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 2/20 0.43
CRHR1 P34998 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KCNH2 Q12809 3/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL3373701 0.93 NR1H2 (0.48) NR1H2NR1H3PDE4APDE4BPDE4C
SCHEMBL3373915 0.89 TSHR (0.50) NR1H2NR1H3PDE4APDE4BPDE4C
SCHEMBL3376641 0.82 TSHR (0.47) NR1H2NR1H3PDE4APDE4BPDE4C
SCHEMBL627791 0.81 TSHR (0.66) NR1H2NR1H3PDE4APDE4BPDE4C
SCHEMBL3371521 0.81 TSHR (0.64) NR1H2NR1H3PDE4APDE4BPDE4C
SCHEMBL3376961 0.80 TSHR (0.50) NR1H2NR1H3PDE4DTSHRKMT2A
SCHEMBL11529925 0.77 TSHR (0.65) NR1H2NR1H3TSHRNPC1RAB9A
SCHEMBL3374636 0.77 NR1H2 (0.43) NR1H2NR1H3PDE4APDE4BPDE4C
SCHEMBL8092493 0.76 TSHR (0.63) NR1H2NR1H3TSHRNPC1RAB9A
SCHEMBL12653608 0.76 NR1H2 (0.48) NR1H2NR1H3PDE4APDE4BPDE4C

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 NR1H2 2267/4885NR1H3 2618/4885PDE4A 1796/4885

“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.