SCHEMBL2404598

SCHEMBL2404598

O=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CC=NO2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.57
EPHX1 P07099 1/20 0.57
TSHR P16473 3/20 0.55
MEN1 O00255 1/20 0.55
HPGD P15428 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP2C9 P11712 1/20 0.49
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SLC6A7 Q99884 1/20 0.46
HSD11B1 P28845 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP3A4 P08684 3/20 0.45
USP2 O75604 2/20 0.45
HIF1A Q16665 2/20 0.45
MGLL Q99685 1/20 0.44
GPR183 P32249 1/20 0.44
CYP2D6 P10635 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL15309141 0.86 L3MBTL1 (0.46) EPHX2MEN1KMT2AGAASLC6A7
SCHEMBL2401901 0.85 CYP3A4 (0.52) TSHRMEN1HPGDKMT2ACYP2C9
SCHEMBL2404714 0.84 EPHX2 (0.50) EPHX2HSD11B1MGLL
SCHEMBL25331596 0.84 EPHX2 (0.64) EPHX2EPHX1TSHRMEN1HPGD
SCHEMBL15309177 0.83 HPGD (0.53) HPGDHSD11B1MGLLGPR183SMN1; SMN2
SCHEMBL15309116 0.80 POLB (0.60) TSHRHPGDCYP2C9CYP3A4USP2
SCHEMBL15309179 0.80 SLC6A7 (0.46) MEN1HPGDKMT2ACYP2C9GAA
SCHEMBL15309117 0.77 EPHX2 (0.54) EPHX2EPHX1TSHRMEN1HPGD
SCHEMBL2401240 0.77 HTR1A (0.51)
SCHEMBL2401329 0.77 TSHR (0.53) TSHRMEN1HPGDKMT2AGAA

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-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 US 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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 EPHX2 711/4885EPHX1 1114/4885TSHR 1894/4885

“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.