SCHEMBL850896

SCHEMBL850896

OCC(O)Cn1ccc2c(Br)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
PRMT5 O14744 4/20 0.41
HTR2C P28335 3/20 0.41
HTR2A P28223 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
CCNE2 O96020 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
AGER Q15109 1/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL850895 1.00 EGFR (0.42) EGFRPRMT5HTR2CHTR2AALDH1A1
SCHEMBL849274 0.85 HTR2C (0.38) EGFRPRMT5HTR2CHTR2ACCNE2
SCHEMBL16358098 0.84 PRMT5 (0.42) PRMT5HTR2CHTR2AALDH1A1SMN1; SMN2
SCHEMBL3250289 0.83 HTR2C (0.51) EGFRPRMT5HTR2CHTR2AALDH1A1
SCHEMBL24143744 0.79 HTR2C (0.51) PRMT5HTR2CHTR2ASLC6A2SLC6A4
SCHEMBL879762 0.77 HTR2C (0.44) HTR2CCDK4CCND1SLC6A2SLC6A4
SCHEMBL7149272 0.73 KMT2A (0.66) PRMT5ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL849619 0.73 CDK4 (0.43) HTR2CCDK4CCND1
SCHEMBL18314123 0.73 GRM2 (0.42) HTR2CHTR2ASLC6A2SLC6A4
SCHEMBL27688630 0.72 HTR2C (0.40) HTR2CHTR2ASMN1; SMN2KMT2ASLC6A2

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 EGFR 2107/4885PRMT5 1088/4885HTR2C 1039/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 EGFR 2107/4885PRMT5 1088/4885HTR2C 1039/4885

“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.