SCHEMBL13281130

SCHEMBL13281130

O=c1nc(CN2CCN(c3ccc(O)cc3)CC2)[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.71
NPC1 O15118 2/20 0.71
DRD4 P21917 15/20 0.69
PKM P14618 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTR1A P08908 1/20 0.49
ADRA2C P18825 1/20 0.49
HTR2A P28223 1/20 0.49
ALDH1A1 P00352 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL13280992 0.88 DRD4 (0.70) GAANPC1DRD4HTR1AADRA2C
SCHEMBL16107574 0.84 DRD4 (0.69) GAANPC1DRD4KDM4EMAPT
SCHEMBL4814328 0.83 NPC1 (1.00) GAANPC1DRD4KDM4EHTR1A
SCHEMBL13281133 0.81 DRD4 (1.00) GAANPC1DRD4TSHRHSD17B10
SCHEMBL3396533 0.81 DRD4 (0.70) DRD4KDM4EMAPTTSHRALDH1A1
SCHEMBL13281424 0.76 DRD4 (0.60) GAANPC1DRD4PKMHTR1A
SCHEMBL4826073 0.74 GAA (0.70) GAANPC1DRD4PKMKDM4E
SCHEMBL4809921 0.72 DRD4 (1.00) GAANPC1DRD4KDM4EHTR1A
SCHEMBL383213 0.72 DRD4 (0.77) GAANPC1DRD4KDM4EHTR1A
SCHEMBL3394834 0.72 DRD4 (0.84) GAADRD4KDM4ETSHRHSD17B10

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 5 patents. 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
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-20140296247-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. 2014-10-02 US disclosed
EP-2697206-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS Atir Holding S.A. (LU) 2014-02-19 EP disclosed
WO-2012140642-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. (LU) 2012-10-18 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-20140296247-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS CYP19A1, HSD17B11, SHBG GAA 719/4885NPC1 2393/4885DRD4 282/4885

“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.