SCHEMBL2206989

SCHEMBL2206989

CC(C)(C)c1ccc(CNC(=O)C2=NOC3(CCC4CCCCC4C3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.41
NR1H4 Q96RI1 14/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL2206559 0.85 EPHX1 (0.42) EPHX2HDAC3HDAC8HDAC6MEN1
SCHEMBL12825008 0.81 EPHX2 (0.47) EPHX2NR1H4HDAC3HDAC8HDAC6
Hydrochloric Acid SCHEMBL5119487 0.80 EPHX2 (0.46) EPHX2NR1H4HDAC3HDAC8HDAC6
Ammonia Solution, Strong SCHEMBL5121432 0.80 EPHX2 (0.47) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL2208979 0.78 TRPV1 (0.49)
SCHEMBL1457205 0.77 GPR119 (0.41) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL5113754 0.76 GPR119 (0.53) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL2205850 0.76 EPHX2 (0.44) EPHX2MEN1KMT2ALMNA
SCHEMBL12434594 0.74 CHRNB4 (0.37) LMNA
SCHEMBL2210571 0.74 ALDH1A1 (0.42) CYP2C19RAB9ALMNAL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US claimed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 US claimed
US-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US disclosed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 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-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments REN, PKD1, PKD2 EPHX2 1541/4885NR1H4 60/4885HDAC3 486/4885

“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.