SCHEMBL848896

SCHEMBL848896

Cc1cc(N(CCOCc2ccccc2)C(=O)NCCO)cc(C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
BRD4 O60885 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
CCR6 P51684 1/20 0.34
PAX8 Q06710 1/20 0.34

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
Hydrochloric Acid SCHEMBL847327 0.83 TSPO (0.40) CTSBHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL847326 0.82 ALDH1A1 (0.38) CTSBHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL848212 0.80 TSHR (0.41) LMNAALDH1A1HDAC1HDAC6TSHR
SCHEMBL13552302 0.78 TSHR (0.40) LMNAALDH1A1HDAC1HDAC6L3MBTL1
SCHEMBL10290846 0.69 TSHR (0.35) LMNAALDH1A1TSHR
SCHEMBL9149301 0.69 SMN1; SMN2 (0.55) CTSBHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL16302215 0.68 NTRK2 (0.35) ALDH1A1
SCHEMBL849334 0.68 TSHR (0.40) HTTSMN1; SMN2LMNAALDH1A1L3MBTL1
SCHEMBL9813414 0.67 SMN1; SMN2 (0.51) HTTSMN1; SMN2SPHK2SPHK1LMNA
SCHEMBL7648610 0.67 L3MBTL1 (0.48) HTTSMN1; SMN2SPHK2SPHK1LMNA

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 7 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-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP 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 CTSB 3927/4885HTT 1584/4885SMN1; SMN2 1005/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 CTSB 3927/4885HTT 1584/4885SMN1; SMN2 1005/4885

“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.