SCHEMBL3399004

SCHEMBL3399004

O=c1[nH]c(CN2CCN(c3ccccc3O)CC2)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 1.00
ALDH1A1 P00352 4/20 1.00
DRD4 P21917 3/20 1.00
HSD17B10 Q99714 2/20 0.62
TSHR P16473 1/20 0.62
NPSR1 Q6W5P4 1/20 0.61
L3MBTL1 Q9Y468 3/20 0.59
POLB P06746 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 2/20 0.57
MAPT P10636 1/20 0.56
LMNA P02545 1/20 0.55
PARP1 P09874 2/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL13182538 0.87 DRD4 (0.78) GAAALDH1A1DRD4HSD17B10TSHR
SCHEMBL3395090 0.87 DRD4 (0.77) GAAALDH1A1DRD4HSD17B10TSHR
SCHEMBL14585685 0.86 GAA (0.78) GAAALDH1A1DRD4HSD17B10TSHR
SCHEMBL3397948 0.86 GAA (0.76) GAAALDH1A1DRD4HSD17B10TSHR
SCHEMBL3398034 0.86 DRD4 (0.76) GAAALDH1A1DRD4HSD17B10TSHR
SCHEMBL3399013 0.84 DRD4 (0.72) GAAALDH1A1DRD4HSD17B10TSHR
SCHEMBL3394834 0.84 DRD4 (0.84) GAAALDH1A1DRD4HSD17B10TSHR
SCHEMBL13281133 0.84 DRD4 (1.00) GAAALDH1A1DRD4HSD17B10TSHR
SCHEMBL3399001 0.83 PARP1 (0.78) GAAALDH1A1DRD4HSD17B10TSHR
SCHEMBL4813170 0.83 DRD4 (0.75) GAAALDH1A1DRD4KDM4E

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697206-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2019-04-03 EP disclosed
EP-2697206-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2019-04-03 EP disclosed
US-9353067-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2016-05-31 US disclosed
US-9353067-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2016-05-31 US disclosed
US-9353067-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2016-05-31 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-9034872-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2015-05-19 US disclosed
US-20140296247-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. 2014-10-02 US disclosed
US-20140296247-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. 2014-10-02 US disclosed
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 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
US-20100029671-A1 Heterocyclic Compounds And Uses Thereof In The Treatment Of Sexual Disorders ATIR HOLDING S.A. (LU) 2010-02-04 US disclosed
EP-1648905-B1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LAB (US) 2008-12-31 EP 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
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 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 (6 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 920/4885ALDH1A1 656/4885DRD4 45/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK GAA 2970/4885ALDH1A1 1899/4885DRD4 3813/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK GAA 2970/4885ALDH1A1 1899/4885DRD4 3813/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK GAA 2970/4885ALDH1A1 1899/4885DRD4 3813/4885
US-20140296247-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS CYP19A1, HSD17B11, SHBG GAA 719/4885ALDH1A1 483/4885DRD4 282/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK GAA 2970/4885ALDH1A1 1899/4885DRD4 3813/4885

“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.