SCHEMBL3396548

SCHEMBL3396548

O=c1cc(CN2CCN(c3ncccn3)CC2)oc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.67
DRD4 P21917 1/20 0.60
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
TSHR P16473 4/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARG P37231 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL3395213 0.88 SIGMAR1 (0.65) SIGMAR1CYP11B1CYP11B2HTTMAPT
SCHEMBL3605597 0.84 SIGMAR1 (0.76) SIGMAR1DRD4CYP11B1CYP11B2TSHR
SCHEMBL7305898 0.82 SIGMAR1 (0.77) SIGMAR1CYP11B1CYP11B2TSHRLMNA
SCHEMBL7294524 0.81 SIGMAR1 (0.76) SIGMAR1CYP11B1CYP11B2POLBMAPT
SCHEMBL7299921 0.81 SIGMAR1 (1.00) SIGMAR1DRD4CYP11B1CYP11B2TSHR
SCHEMBL7298240 0.80 SIGMAR1 (0.75) SIGMAR1CYP11B1CYP11B2TSHRLMNA
SCHEMBL17237763 0.80 SIGMAR1 (0.75) SIGMAR1CYP11B1CYP11B2TSHRLMNA
SCHEMBL7299989 0.80 SIGMAR1 (0.75) SIGMAR1CYP11B1CYP11B2TSHRLMNA
SCHEMBL30718981 0.80 SIGMAR1 (0.66) SIGMAR1DRD4CYP11B1CYP11B2TSHR
SCHEMBL14786700 0.80 SIGMAR1 (0.66) SIGMAR1DRD4LMNAPOLBHTT

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 21 patents — showing the first 20. 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-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
US-5519023-A SCHIZOPHRENIA ADIR ET COMPAGNIE (FR) 1996-05-21 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 SIGMAR1 555/4885DRD4 45/4885CYP11B1 112/4885
US-20140107128-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS PDE5A, PDE3B, PDE3A SIGMAR1 871/4885DRD4 53/4885CYP11B1 138/4885
US-20130072479-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS PDE5A, PDE3B, PDE3A SIGMAR1 555/4885DRD4 45/4885CYP11B1 112/4885

“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.