SCHEMBL4764004

SCHEMBL4764004

COc1ccc(-c2nnc(NC3CCN(Cc4ccc(OCCCN5CCCCC5)cc4)CC3)c3cc(OC)ccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.51
ACHE P22303 4/20 0.49
RAD52 P43351 1/20 0.48
EHMT2 Q96KQ7 3/20 0.48
KDM1A O60341 2/20 0.48
RCOR1 Q9UKL0 2/20 0.48
NSD2 O96028 1/20 0.48
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47

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 SCHEMBL4130821 0.99 HRH3 (0.50) HRH3ACHERAD52EHMT2KDM1A
SCHEMBL4764469 0.96 ESR1 (0.51) HRH3ACHEEHMT2KDM1ARCOR1
Hydrochloric Acid SCHEMBL4117068 0.95 ESR1 (0.51) HRH3ACHEEHMT2KDM1ARCOR1
SCHEMBL4767566 0.95 ESR1 (0.50) HRH3ACHEEHMT2KDM1ARCOR1
Hydrochloric Acid SCHEMBL4129891 0.94 ESR1 (0.49) HRH3ACHEEHMT2KDM1ARCOR1
SCHEMBL5193700 0.92 ACHE (0.56) ACHEEHMT2KDM1ARCOR1
Hydrochloric Acid SCHEMBL4838721 0.91 ACHE (0.55) ACHEEHMT2KDM1ARCOR1
SCHEMBL4763716 0.90 ACHE (0.51) ACHEEHMT2KDM1ARCOR1NSD2
SCHEMBL4766865 0.89 HTR1A (0.49) HRH3ACHEEHMT2KDM1ARCOR1
Hydrochloric Acid SCHEMBL4130202 0.89 ACHE (0.50) ACHEEHMT2KDM1ARCOR1NSD2

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 HRH3 165/4885ACHE 2862/4885RAD52 2838/4885

“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.