SCHEMBL4767176

SCHEMBL4767176

COCc1nnc(NC2CCN(Cc3cccc(OCCCO)c3)CC2)c2cc(OC)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.48
EHMT2 Q96KQ7 5/20 0.47
BCHE P06276 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
MAOB P27338 1/20 0.46
DNMT3A Q9Y6K1 2/20 0.46
ROCK2 O75116 2/20 0.45
JAK1 P23458 4/20 0.45
JAK2 O60674 2/20 0.44
JAK3 P52333 2/20 0.44
TYK2 P29597 1/20 0.44
HDAC3 O15379 4/20 0.44
HDAC4 P56524 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC11 Q96DB2 4/20 0.44
HDAC8 Q9BY41 4/20 0.44

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
Hydrochloric Acid SCHEMBL4128347 0.99 MCHR1 (0.47) MCHR1EHMT2BCHEMAOAACHE
SCHEMBL4764019 0.96 ROCK2 (0.49) MCHR1EHMT2DNMT3AROCK2JAK1
Hydrochloric Acid SCHEMBL4133592 0.95 ROCK2 (0.49) MCHR1EHMT2DNMT3AROCK2JAK1
SCHEMBL4722646 0.92 DNMT3A (0.46) MCHR1EHMT2ACHEDNMT3AHDAC3
Hydrochloric Acid SCHEMBL4122709 0.91 DNMT3A (0.46) MCHR1EHMT2ACHEDNMT3AHDAC3
SCHEMBL4723649 0.88 EHMT2 (0.44) MCHR1EHMT2DNMT3AJAK1JAK3
SCHEMBL4724035 0.88 DNMT3A (0.47) MCHR1EHMT2ACHEDNMT3AJAK1
Hydrochloric Acid SCHEMBL4116507 0.88 EHMT2 (0.43) MCHR1EHMT2DNMT3AJAK1JAK3
SCHEMBL4767348 0.87 MCHR1 (0.48) MCHR1EHMT2BCHEMAOAACHE
Hydrochloric Acid SCHEMBL4122777 0.87 DNMT3A (0.46) MCHR1EHMT2ACHEDNMT3AJAK1

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
EP-1940823-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP claimed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO claimed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
EP-1940823-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO 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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR MCHR1 138/4885EHMT2 993/4885BCHE 3448/4885

“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.