SCHEMBL1950206

SCHEMBL1950206

CC(C)(O)CN1CCc2cc[c]cc2C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
PRMT5 O14744 4/20 0.33
WDR77 Q9BQA1 4/20 0.33
CARM1 Q86X55 1/20 0.33
POLB P06746 1/20 0.33
HTR6 P50406 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
NCOR2 Q9Y618 1/20 0.31

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
SCHEMBL2483781 0.80 PNMT (0.44) POLBALDH1A1TSHRDRD2DRD3
SCHEMBL24307298 0.80 KDM4E (0.55) KDM4EPRMT5WDR77CARM1ALDH1A1
SCHEMBL216386 0.77 HDAC3 (0.39) KDM4EALDH1A1DRD2DRD3HDAC3
SCHEMBL28597675 0.76 HTR7 (0.40) KDM4EALDH1A1TSHRDRD2DRD3
SCHEMBL28598636 0.73 ALDH1A1 (0.40) KDM4EALDH1A1TSHRDRD2DRD3
SCHEMBL1953440 0.73 MEN1 (0.43) KDM4EPOLBALDH1A1DRD2DRD3
SCHEMBL3995514 0.73 KMT2A (0.41) KDM4EPRMT5WDR77ALDH1A1DRD2
SCHEMBL28595987 0.73 ACHE (0.51) DRD2DRD3
SCHEMBL951185 0.73 MEN1 (0.40) KDM4EPRMT5WDR77POLBALDH1A1
SCHEMBL1953246 0.73 PNMT (0.44) POLBALDH1A1TSHRDRD2DRD3

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
EP-2168966-B1 BICYCLOANILINE DERIVATIVE MSD KK (JP) 2016-09-28 EP disclosed
US-8436004-B2 Bicycloaniline derivative MSD K.K. (JP) 2013-05-07 US disclosed
US-20110135601-A1 BICYCLOANILINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2011-06-09 US disclosed
EP-2168966-A1 BICYCLOANILINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-03-31 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 (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-20110135601-A1 BICYCLOANILINE DERIVATIVE WEE1, WEE2, CCNK KDM4E 1635/4885PRMT5 1183/4885WDR77 729/4885

“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.