SCHEMBL3394699

SCHEMBL3394699

CC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
LMNA P02545 1/20 0.72
ALDH1A1 P00352 5/20 0.69
CYP1A2 P05177 1/20 0.69
POLB P06746 1/20 0.69
CYP2C9 P11712 1/20 0.69
HPGD P15428 1/20 0.69
CYP2C19 P33261 1/20 0.69
NPSR1 Q6W5P4 1/20 0.67
MAPT P10636 1/20 0.65
DRD4 P21917 3/20 0.65
MDM2 Q00987 1/20 0.62
HSD17B10 Q99714 2/20 0.61
TSHR P16473 1/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
KDM4E B2RXH2 2/20 0.59

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
SCHEMBL14585685 0.88 GAA (0.78) GAAL3MBTL1LMNAALDH1A1CYP1A2
SCHEMBL3399779 0.86 GAA (0.72) GAAL3MBTL1LMNAALDH1A1CYP1A2
SCHEMBL22639886 0.85 GAA (0.73) GAAL3MBTL1LMNAALDH1A1CYP1A2
SCHEMBL29111354 0.84 GAA (0.66) GAAL3MBTL1LMNAALDH1A1CYP1A2
SCHEMBL4631962 0.83 GAA (0.71) GAAL3MBTL1LMNAALDH1A1CYP1A2
SCHEMBL29111343 0.82 GAA (0.61) GAAL3MBTL1LMNAALDH1A1CYP1A2
SCHEMBL28964923 0.82 HRH3 (0.56) GAAL3MBTL1LMNA
SCHEMBL19002890 0.82 DRD4 (0.77) GAAL3MBTL1ALDH1A1CYP1A2POLB
SCHEMBL29111331 0.82 GAA (0.63) GAAL3MBTL1LMNAALDH1A1CYP1A2
SCHEMBL3398060 0.81 ALDH1A1 (0.77) GAAL3MBTL1LMNAALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034872-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2015-05-19 US disclosed
US-9034872-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2015-05-19 US disclosed
US-9034872-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2015-05-19 US disclosed
US-20140107128-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. 2014-04-17 US disclosed
US-20140107128-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. 2014-04-17 US disclosed
US-20140107128-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. 2014-04-17 US disclosed
EP-2233472-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2014-01-15 EP disclosed
US-8614319-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2013-12-24 US disclosed
US-20130072479-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. (LU) 2013-03-21 US disclosed
US-20130072479-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. (LU) 2013-03-21 US disclosed
US-20130072479-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. (LU) 2013-03-21 US disclosed
US-8349850-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2013-01-08 US disclosed
US-8349850-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2013-01-08 US disclosed
US-8349850-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2013-01-08 US disclosed
EP-2233472-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS Atir Holding S.A. (LU) 2010-09-29 EP disclosed
US-20100029671-A1 Heterocyclic Compounds And Uses Thereof In The Treatment Of Sexual Disorders ATIR HOLDING S.A. (LU) 2010-02-04 US disclosed
US-20100029671-A1 Heterocyclic Compounds And Uses Thereof In The Treatment Of Sexual Disorders ATIR HOLDING S.A. (LU) 2010-02-04 US disclosed
US-20100029671-A1 Heterocyclic Compounds And Uses Thereof In The Treatment Of Sexual Disorders ATIR HOLDING S.A. (LU) 2010-02-04 US 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 (3 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-20100029671-A1 Heterocyclic Compounds And Uses Thereof In The Treatment Of Sexual Disorders PDE5A, PDE3B, PDE3A GAA 920/4885L3MBTL1 3572/4885LMNA 4231/4885
US-20140107128-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS PDE5A, PDE3B, PDE3A GAA 654/4885L3MBTL1 2101/4885LMNA 2907/4885
US-20130072479-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS PDE5A, PDE3B, PDE3A GAA 920/4885L3MBTL1 3572/4885LMNA 4231/4885

“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.