SCHEMBL3399502

SCHEMBL3399502

O=c1[nH]c(CN2CCN(c3nccs3)CC2)nc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.62
DRD4 P21917 3/20 0.62
ALDH1A1 P00352 3/20 0.62
TSHR P16473 2/20 0.59
HSD17B10 Q99714 2/20 0.59
NPSR1 Q6W5P4 1/20 0.58
PARP1 P09874 1/20 0.54
HTR1A P08908 3/20 0.54
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HTR7 P34969 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL4813431 0.84 DRD4 (0.68) GAADRD4ALDH1A1HTR1ADRD2
SCHEMBL14585685 0.83 GAA (0.78) GAADRD4ALDH1A1TSHRHSD17B10
SCHEMBL3394617 0.83 DRD4 (0.70) GAADRD4ALDH1A1TSHRHSD17B10
SCHEMBL3394834 0.81 DRD4 (0.84) GAADRD4ALDH1A1TSHRHSD17B10
SCHEMBL3435012 0.81 DRD4 (0.71) GAADRD4ALDH1A1TSHRHSD17B10
SCHEMBL22639886 0.80 GAA (0.73) GAADRD4ALDH1A1TSHRHSD17B10
SCHEMBL3400090 0.80 DRD4 (0.77) GAADRD4ALDH1A1TSHRHSD17B10
SCHEMBL4631962 0.79 GAA (0.71) GAADRD4ALDH1A1TSHRHSD17B10
SCHEMBL14786712 0.77 PARP1 (0.69) GAADRD4ALDH1A1TSHRHSD17B10
SCHEMBL13471615 0.77 DRD4 (0.62) GAADRD4ALDH1A1TSHRHSD17B10

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 20 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
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
WO-2007110868-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. (LU) 2007-10-04 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 (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 920/4885DRD4 45/4885ALDH1A1 656/4885
US-20140107128-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS PDE5A, PDE3B, PDE3A GAA 654/4885DRD4 53/4885ALDH1A1 976/4885
US-20130072479-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS PDE5A, PDE3B, PDE3A GAA 920/4885DRD4 45/4885ALDH1A1 656/4885

“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.