SCHEMBL3400157

SCHEMBL3400157

COc1ccccc1N1CCN(CC2Nc3ccccc3NC2=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.58
HTR2C P28335 5/20 0.54
DRD2 P14416 5/20 0.53
HTR2A P28223 2/20 0.53
CLEC4M Q9H2X3 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
CD209 Q9NNX6 1/20 0.51
HTR7 P34969 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
DRD3 P35462 1/20 0.50
DRD4 P21917 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALOX12 P18054 1/20 0.50
ADRA1D P25100 1/20 0.50

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
SCHEMBL9373707 0.75 HTR7 (0.69) HTR1AHTR2CDRD2HTR2AMEN1
SCHEMBL13648739 0.73 DRD2 (0.65) HTR1AHTR2CDRD2HTR2ADRD3
SCHEMBL10737253 0.73 HTR2C (0.53) HTR1AHTR2CDRD2MEN1KMT2A
SCHEMBL6193449 0.73 HTR1A (0.55) HTR1AHTR2CDRD2HTR2AMEN1
Ammonia Solution, Strong SCHEMBL2320933 0.72 DRD2 (0.64) HTR1AHTR2CDRD2HTR2ADRD3
SCHEMBL10735159 0.72 HTR7 (0.55) HTR1ADRD2MEN1KMT2AHTR7
SCHEMBL27806422 0.71 ADRA1A (0.76) HTR1ADRD2DRD3DRD4ADRA1D
SCHEMBL9414716 0.71 CYP3A4 (0.72) HTR1AHTR2CDRD2HTR2AMEN1
SCHEMBL1779199 0.71 DRD2 (0.62) HTR1AHTR2CDRD2HTR2ACYP2C19
SCHEMBL20502842 0.70 HTR7 (0.55) HTR1ADRD2HTR7DRD3DRD4

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 10 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-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-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
EP-2010505-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS Atir Holding S.A. (LU) 2009-01-07 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

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 HTR1A 261/4885HTR2C 186/4885DRD2 33/4885
US-20140107128-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS PDE5A, PDE3B, PDE3A HTR1A 440/4885HTR2C 465/4885DRD2 32/4885
US-20130072479-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS PDE5A, PDE3B, PDE3A HTR1A 261/4885HTR2C 186/4885DRD2 33/4885

“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.