SCHEMBL4766834

SCHEMBL4766834

Cc1nnc(NC2CCN(Cc3ccc(OC4CCCN(C)CC4)cc3)CC2)c2cc(Cl)ccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.49
KCNH2 Q12809 3/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HRH3 Q9Y5N1 3/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EHMT2 Q96KQ7 2/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
UTS2R Q9UKP6 1/20 0.41

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 SCHEMBL4129888 0.99 MCHR1 (0.48) MCHR1KCNH2MAOAMAOBHRH3
SCHEMBL4763144 0.92 DNMT3A (0.46) MCHR1HRH3MEN1KMT2AEHMT2
Hydrochloric Acid SCHEMBL4118824 0.91 DNMT3A (0.45) MCHR1HRH3MEN1KMT2AEHMT2
SCHEMBL5312759 0.83 MCHR1 (0.48) MCHR1KCNH2HRH3MEN1KMT2A
SCHEMBL4723726 0.81 ACHE (0.47) MCHR1KCNH2HRH3MEN1KMT2A
SCHEMBL4724745 0.81 DNMT3A (0.44) MCHR1KCNH2HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL4129881 0.81 ACHE (0.47) MCHR1KCNH2HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL4124308 0.81 DNMT3A (0.43) MCHR1KCNH2HRH3MEN1KMT2A
SCHEMBL4766266 0.79 MCHR1 (0.49) MCHR1KCNH2HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL4128223 0.79 MCHR1 (0.49) MCHR1KCNH2HRH3MEN1KMT2A

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 MCHR1 138/4885KCNH2 1092/4885MAOA 1023/4885

“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.