SCHEMBL4879992

SCHEMBL4879992

OC12CCCCC1CNCC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.32
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31
CYP1A1 P04798 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
KCNH2 Q12809 2/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4879988 1.00 MAPT (0.43) MAPTTSHRLMNASLC6A2SLC6A4
SCHEMBL20833297 0.87 MAPT (0.37) MAPTTSHRLMNA
SCHEMBL20833154 0.85 MAPT (0.36) MAPTTSHR
SCHEMBL29333114 0.85 SLC6A1 (0.38) MAPTTSHRLMNACYP2D6ATM
SCHEMBL29332280 0.85 SLC6A1 (0.38) MAPTTSHRLMNACYP2D6ATM
SCHEMBL20833158 0.83 MAPT (0.33) MAPTTSHRLMNAALDH1A1
SCHEMBL11219918 0.81 SLC6A2 (0.38) MAPTTSHRLMNASLC6A2SLC6A4
SCHEMBL7796963 0.80 OPRM1 (0.39) MAPTTSHRLMNAALDH1A1
SCHEMBL20833224 0.78
SCHEMBL21275996 0.78

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
EP-3223821-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-10-04 EP disclosed
US-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-07 US disclosed
WO-2016083276-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-02 WO disclosed
CN-101248069-A Androgen receptor modulators and methods of treating diseases therewith ACADIAN PHARMACEUTICALS INC (US) 2008-08-20 CN disclosed
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIAN PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-7268232-B2 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. (US) 2007-09-11 US disclosed
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same ACADIA PHARMACEUTICALS INC. 2007-01-04 US disclosed
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US 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 (4 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-20060014739-A1 Androgen receptor modulators and method of treating disease using the same NR5A1, AR, CYP17A1 MAPT 3702/4885TSHR 335/4885LMNA 3044/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA MAPT 3809/4885TSHR 348/4885LMNA 2903/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 MAPT 3702/4885TSHR 335/4885LMNA 3044/4885
US-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BDKRB2, BDKRB1, PDGFRB MAPT 3259/4885TSHR 2518/4885LMNA 2364/4885

“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.