SCHEMBL3396525

SCHEMBL3396525

COc1cc2nc(CN3CCN(c4cccc(O)c4)CC3)[nH]c(=O)c2cc1OC

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.72
MAPT P10636 3/20 0.64
THRB P10828 1/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CASP1 P29466 1/20 0.56
HBB P68871 1/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL8232987 0.87 DRD4 (0.76) DRD4MAPTALDH1A1GAATSHR
SCHEMBL3399978 0.84 DRD4 (1.00) DRD4ALDH1A1GAATSHRHSD17B10
SCHEMBL3395149 0.82 DRD4 (0.78) DRD4SMN1; SMN2ALDH1A1GAATSHR
SCHEMBL13281426 0.82 DRD4 (0.78) DRD4SMN1; SMN2ALDH1A1GAATSHR
SCHEMBL11850731 0.82 MAPT (0.69) DRD4MAPTTHRBPOLBSMN1; SMN2
SCHEMBL11851952 0.81 PARP1 (0.53) DRD4MAPTTHRBCASP1HBB
SCHEMBL11838035 0.80 PARP1 (0.52) MAPTTHRBPOLBSMN1; SMN2CASP1
SCHEMBL11842977 0.80 PARP1 (0.65) MAPTLMNA
SCHEMBL11846083 0.79 PARP1 (0.52) MAPTTHRBPOLBSMN1; SMN2CASP1
SCHEMBL3399050 0.79 DRD4 (0.73) DRD4MAPTSMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233472-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS Atir Holding S.A. (LU) 2010-09-29 EP claimed
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
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
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 DRD4 45/4885MAPT 3849/4885THRB 1491/4885
US-20140107128-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS PDE5A, PDE3B, PDE3A DRD4 53/4885MAPT 4045/4885THRB 1328/4885
US-20130072479-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS PDE5A, PDE3B, PDE3A DRD4 45/4885MAPT 3849/4885THRB 1491/4885

“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.