SCHEMBL879836

SCHEMBL879836

CNN(C)C(=O)c1cc(C)c(Br)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 2/20 0.33
▸ NCEH1 Q6PIU2 2/20 0.33
▸ DRD3 P35462 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ NOD2 Q9HC29 1/20 0.31
▸ CHRNA1 P02708 1/20 0.30
▸ CHRNG P07510 1/20 0.30
▸ CHRNB1 P11230 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ CHRND Q07001 1/20 0.30

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
SCHEMBL18615158 0.80 ALDH1A1 (0.41) TSHRALDH1A1LMNAHPGDNCEH1
SCHEMBL849495 0.77 ALDH1A1 (0.37) TSHRALDH1A1LMNAHPGDNCEH1
SCHEMBL11862612 0.73 HPGD (0.45) TSHRALDH1A1HPGDMAPT
SCHEMBL25560485 0.73 CES2 (0.46) ALDH1A1LMNAMAPT
SCHEMBL21438582 0.72 HDAC6 (0.48) TSHRALDH1A1LMNAHPGDNCEH1
SCHEMBL11856269 0.71 KMT2A (0.49) LMNAHPGD
SCHEMBL31008758 0.70 ATM (0.55) TSHRALDH1A1HPGD
SCHEMBL18348142 0.69 HDAC1 (0.39) ALDH1A1HPGDNCEH1
SCHEMBL850504 0.69 TPMT (0.54) TSHRALDH1A1LMNAHPGDMAPT
SCHEMBL12983073 0.69 CA5A (0.48) ALDH1A1LMNAHPGDMAPTSTAT3

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 8 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-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 — — US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 — — US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 — — 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
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 (2 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 914/4885ALDH1A1 836/4885LMNA 2006/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 TSHR 914/4885ALDH1A1 836/4885LMNA 2006/4885

“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.

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