SCHEMBL4139903

SCHEMBL4139903

CN1CCCC(Oc2ccc(C=O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PARP10 Q53GL7 1/20 0.42
HPGD P15428 1/20 0.41
ACACB O00763 1/20 0.40
PARP1 P09874 1/20 0.40
MAPT P10636 1/20 0.40
CYP2A6 P11509 1/20 0.40

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
SCHEMBL223917 0.94 HRH3 (0.58) HRH3SMN1; SMN2ALDH1A1MAOAMAOB
SCHEMBL4129194 0.87 HTT (0.49) HRH3SMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL3636729 0.84 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KDM4EPARP10HPGD
SCHEMBL510213 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EPARP10HPGDCYP2A6
SCHEMBL4058730 0.81 HPGD (0.56) ALDH1A1KDM4EPARP10HPGDCYP2A6
SCHEMBL510687 0.81 HPGD (0.56) ALDH1A1KDM4EPARP10HPGDCYP2A6
SCHEMBL26819652 0.79 KDM1A (0.47) HRH3SMN1; SMN2ALDH1A1MAOAMAOB
SCHEMBL2005027 0.79 HRH3 (0.58) HRH3
SCHEMBL833489 0.79 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KDM4EPARP10HPGD
SCHEMBL22708340 0.78 HRH3 (0.58) HRH3SMN1; SMN2MAOAMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-2007042668-A1 DERIVATIVES OF 1-AMINO-ISOQUINOLINE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS IN THE TREATMENT OF A DYSFUNCTION ASSOCIATED WITH MCH RECEPTOR 1 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
WO-2007042668-A1 DERIVATIVES OF 1-AMINO-ISOQUINOLINE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS IN THE TREATMENT OF A DYSFUNCTION ASSOCIATED WITH MCH RECEPTOR 1 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 165/4885SMN1; SMN2 2592/4885HTT 943/4885

“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.