SCHEMBL879677

SCHEMBL879677

CCCCOCCN(C(=O)NCCO)c1cc(C)c(Br)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
CNR2 P34972 5/20 0.36
CNR1 P21554 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SMPD1 P17405 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RARB P10826 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL16104727 0.89 CNR2 (0.36) TSHRCNR2CNR1LMNAPOLB
SCHEMBL13552302 0.85 TSHR (0.40) TSHRLMNAPOLBHDAC1HDAC6
SCHEMBL848212 0.83 TSHR (0.41) TSHRLMNAMAPTHDAC1HDAC6
SCHEMBL10290604 0.82 ESR1 (0.35) TSHRLMNAPOLBSMN1; SMN2RARB
SCHEMBL848896 0.81 CTSB (0.38) TSHRLMNAHDAC1HDAC6SMN1; SMN2
SCHEMBL10290777 0.81 ESR1 (0.34) TSHRLMNAPOLBRARBALDH1A1
SCHEMBL879680 0.81 THRA (0.35) TSHRLMNAPOLBHPGDSMN1; SMN2
SCHEMBL13065129 0.81 TSHR (0.35) TSHRCNR1LMNAPOLBGAA
SCHEMBL16302320 0.80 TSHR (0.37) TSHRCNR2CNR1LMNAPOLB
SCHEMBL10290846 0.74 TSHR (0.35) TSHRLMNAHPGDALDH1A1

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-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 WO 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 TSHR 914/4885CNR2 1502/4885CNR1 973/4885

“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.