SCHEMBL3400282

SCHEMBL3400282

COc1ccc(C(c2nc3ccccc3[nH]2)N2CCN(C(C)=O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.53
▸ CACNA2D1 P54289 3/20 0.49
▸ CACNB1 Q02641 3/20 0.49
▸ CACNA1B Q00975 2/20 0.49
▸ CACNA1C Q13936 2/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ CACNA1G O43497 1/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ USP2 O75604 2/20 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
SCHEMBL3400081 0.89 KMT2A (0.63) PDE10AKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL3395254 0.83 DRD4 (0.54) DRD3KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL3400520 0.81 RAB9A (0.48) PDE10ADRD3KMT2AALDH1A1SMN1; SMN2
SCHEMBL13182604 0.79 PDE10A (0.39) PDE10ACACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL17910757 0.77 ALDH1A1 (0.54) DRD3ALDH1A1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL17910760 0.77 ALDH1A1 (0.54) DRD3ALDH1A1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL3395279 0.75 CHEK2 (0.50) KMT2APOLBALDH1A1SMN1; SMN2MAPT
SCHEMBL14770661 0.73 MLKL (0.72) PDE10AKMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3395291 0.73 MLKL (0.44) POLBALDH1A1SMN1; SMN2HTTCYP3A4
SCHEMBL14770674 0.72 SMN1; SMN2 (0.56) KMT2APOLBALDH1A1SMN1; SMN2MEN1

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 PDE10A 13/4885CACNA2D1 2165/4885CACNB1 2752/4885
US-20140107128-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS PDE5A, PDE3B, PDE3A PDE10A 12/4885CACNA2D1 2080/4885CACNB1 2547/4885
US-20130072479-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS PDE5A, PDE3B, PDE3A PDE10A 13/4885CACNA2D1 2165/4885CACNB1 2752/4885

“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.

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