SCHEMBL4766865

SCHEMBL4766865

COc1ccc(-c2nnc(NC3CCN(Cc4ccc(OCCCN5CCCC5)c(F)c4)CC3)c3cc(OC)ccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.49
DRD2 P14416 6/20 0.49
HTR2A P28223 6/20 0.49
HRH3 Q9Y5N1 6/20 0.49
MCHR1 Q99705 3/20 0.47
KCNH2 Q12809 2/20 0.47
EHMT2 Q96KQ7 7/20 0.46
NSD2 O96028 3/20 0.46
KDM1A O60341 2/20 0.44
RCOR1 Q9UKL0 2/20 0.44
ACHE P22303 1/20 0.42
SPIN1 Q9Y657 2/20 0.42

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 SCHEMBL4118078 0.99 HTR1A (0.49) HTR1ADRD2HTR2AHRH3MCHR1
SCHEMBL4723701 0.94 HTR1A (0.52) HTR1ADRD2HTR2AHRH3MCHR1
Hydrochloric Acid SCHEMBL4119543 0.93 HTR1A (0.52) HTR1ADRD2HTR2AHRH3MCHR1
SCHEMBL4767141 0.90 MCHR1 (0.48) MCHR1KCNH2EHMT2KDM1ARCOR1
SCHEMBL4764004 0.89 HRH3 (0.51) HTR1ADRD2HTR2AHRH3EHMT2
SCHEMBL4844556 0.89 ACHE (0.49) MCHR1KCNH2EHMT2ACHE
Hydrochloric Acid SCHEMBL4133525 0.89 MCHR1 (0.48) MCHR1KCNH2EHMT2KDM1ARCOR1
Hydrochloric Acid SCHEMBL4130821 0.89 HRH3 (0.50) HTR1ADRD2HTR2AHRH3EHMT2
SCHEMBL4767566 0.86 ESR1 (0.50) HRH3MCHR1EHMT2NSD2KDM1A
SCHEMBL5193700 0.86 ACHE (0.56) MCHR1EHMT2KDM1ARCOR1ACHE

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 6 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

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 HTR1A 289/4885DRD2 1110/4885HTR2A 270/4885

“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.