SCHEMBL2207565

SCHEMBL2207565

CC(C)(C)C1CCC2(CC1)CC(C(=O)NCc1ccc(S(F)(F)(F)(F)F)cc1)=NO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM4 P08173 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR3A P46098 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GHSR Q92847 1/20 0.38
OPRL1 P41146 3/20 0.36
PDE2A O00408 1/20 0.35
ITGB3 P05106 7/20 0.35
ITGB1 P05556 7/20 0.35
ITGAV P06756 7/20 0.35
ITGA2B P08514 7/20 0.35
ITGA5 P08648 7/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL2205850 0.87 EPHX2 (0.44) MEN1LMNATSHRMAPK1KMT2A
SCHEMBL2207313 0.85 ALDH1A1 (0.42) LMNAMAPK1ITGB3ITGB1ITGAV
SCHEMBL2210571 0.85 ALDH1A1 (0.42) LMNAMAPK1ITGB3ITGB1ITGAV
SCHEMBL2208558 0.82 EPHX2 (0.48) MEN1KMT2A
SCHEMBL2204827 0.82 EPHX2 (0.48) MEN1KMT2A
SCHEMBL2205140 0.82 EPHX2 (0.48) MEN1KMT2A
SCHEMBL2207438 0.79 TRPV1 (0.46) CYP2D6
SCHEMBL2207440 0.79 TRPV1 (0.46) CYP2D6
SCHEMBL2209768 0.79 TRPV1 (0.46) CYP2D6
SCHEMBL2207528 0.78 TRPV1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 596/4885LMNA 404/4885TSHR 3766/4885

“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.