SCHEMBL3376641

SCHEMBL3376641

CCCN(Cc1ccccc1)[C]1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CNR2 P34972 1/20 0.43
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
RORC P51449 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CRHR1 P34998 1/20 0.39
BCHE P06276 2/20 0.38
AOC3 Q16853 1/20 0.38
GAA P10253 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MGLL Q99685 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
SCHEMBL3373915 0.93 TSHR (0.50) TSHRCNR2CYP2C19ALDH1A1HRH3
SCHEMBL3373701 0.90 NR1H2 (0.48) TSHRCNR2CYP2C19ALDH1A1PDE4A
SCHEMBL3375956 0.85 TSHR (0.60) TSHRCNR2CYP2C19ALDH1A1AOC3
SCHEMBL3373133 0.85 TSHR (0.47) TSHRCNR2CYP2C19ALDH1A1HRH3
SCHEMBL23064545 0.83 TSHR (0.45) TSHRCNR2CYP2C19ALDH1A1HRH3
SCHEMBL3373523 0.82 NR1H2 (0.50) TSHRCYP2C19ALDH1A1PDE4APDE4B
SCHEMBL3371521 0.77 TSHR (0.64) TSHRCNR2CYP2C19ALDH1A1PDE4A
SCHEMBL641218 0.77 TSHR (0.70) TSHRCNR2CYP2C19ALDH1A1RORC
SCHEMBL3376961 0.76 TSHR (0.50) TSHRCNR2CYP2C19ALDH1A1PDE4D
SCHEMBL3376121 0.76 SMN1; SMN2 (0.31) ALDH1A1HRH3

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 TSHR 1622/4885CNR2 2433/4885CYP2C19 1060/4885

“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.