SCHEMBL849334

SCHEMBL849334

Cc1cc(NCCOCc2ccccc2)cc(C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.37
LMNA P02545 2/20 0.37
GBA1 P04062 1/20 0.36
TACR1 P25103 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CD274 Q9NZQ7 1/20 0.34
NAAA Q02083 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
SCHEMBL414823 0.79 TSHR (0.54) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL849929 0.75 KCNH3 (0.40) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL849709 0.74 LMNA (0.38) SMN1; SMN2HTTALDH1A1LMNAL3MBTL1
SCHEMBL419015 0.73 KCNH3 (0.47) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL417840 0.73 LMNA (0.47) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL12258273 0.72 MAPT (0.42) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL9335414 0.72 TSHR (0.45) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL28941259 0.72 SMN1; SMN2 (0.43) TSHRSMN1; SMN2HTTLMNAGBA1
SCHEMBL6107307 0.71 NAAA (0.47) TSHRSMN1; SMN2HTTALDH1A1NAAA
SCHEMBL25599419 0.71 TSHR (0.52) TSHRSMN1; SMN2HTTALDH1A1LMNA

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 TSHR 914/4885SMN1; SMN2 1005/4885HTT 1584/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 TSHR 914/4885SMN1; SMN2 1005/4885HTT 1584/4885

“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.