SCHEMBL14728923

SCHEMBL14728923

COc1ccc(C(O)Cn2c3c(c4cc(Cl)ccc42)CCN(C)C3)cc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.41
GRIN3B O60391 5/20 0.41
GRIN1 Q05586 5/20 0.41
GRIN2A Q12879 5/20 0.41
GRIN2B Q13224 5/20 0.41
GRIN2C Q14957 5/20 0.41
GRIN3A Q8TCU5 5/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
BCHE P06276 4/20 0.40
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
BAZ2B Q9UIF8 2/20 0.35
HRH1 P35367 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL14733395 0.94 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13654623 0.91 HDAC1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13654633 0.89 HDAC1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14728927 0.85 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3239600 0.84 HDAC1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14728921 0.84 KDM4E (0.41) BAZ2BRAD52NLRP1
SCHEMBL14728774 0.84 GRIN1 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13654630 0.82 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14728963 0.82 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3229855 0.82 HDAC1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-8815843-B2 Compounds and methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2014-08-26 US disclosed
US-8791132-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-29 US disclosed
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2014-03-27 US disclosed
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. 2013-02-28 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 (5 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-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 GRIN2D 1104/4885GRIN3B 447/4885GRIN1 1388/4885
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES ADRB2, ADRA2B, ADRA2C GRIN2D 735/4885GRIN3B 759/4885GRIN1 3214/4885
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 GRIN2D 1104/4885GRIN3B 447/4885GRIN1 1388/4885
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 GRIN2D 1104/4885GRIN3B 447/4885GRIN1 1388/4885
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C GRIN2D 828/4885GRIN3B 741/4885GRIN1 3230/4885

“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.