SCHEMBL19869641

SCHEMBL19869641

CC(C)CN1CCN(Cc2ccc3nc[nH]c3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.55
SIGMAR1 Q99720 4/20 0.55
TMEM97 Q5BJF2 3/20 0.55
DRD3 P35462 2/20 0.55
DRD2 P14416 3/20 0.47
TNIK Q9UKE5 1/20 0.47
ABCB1 P08183 1/20 0.45
HTR1A P08908 1/20 0.44
DRD1 P21728 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR3A P46098 1/20 0.44
CCR5 P51681 1/20 0.43
QPCT Q16769 1/20 0.40
HTT P42858 1/20 0.40
CHKA P35790 1/20 0.40
MMP12 P39900 1/20 0.39

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
SCHEMBL19871856 0.85 DRD4 (0.55) DRD4SIGMAR1TMEM97DRD3DRD2
SCHEMBL18726569 0.82 DRD4 (0.57) DRD4SIGMAR1TMEM97DRD3DRD2
SCHEMBL29339017 0.81 SIGMAR1 (0.56) DRD4SIGMAR1TMEM97DRD3DRD2
SCHEMBL29720511 0.80 DRD4 (0.55) DRD4SIGMAR1TMEM97DRD3DRD2
SCHEMBL13974817 0.76 TNIK (0.52) DRD4SIGMAR1TMEM97DRD3DRD2
SCHEMBL20782285 0.76 DRD4 (0.45) DRD4SIGMAR1TMEM97DRD3DRD2
SCHEMBL13034792 0.75 QPCT (0.49) DRD2QPCTHTTMMP12
SCHEMBL2141792 0.74 TNIK (0.52) DRD4SIGMAR1TMEM97DRD3TNIK
SCHEMBL21863868 0.73 HTT (0.52) DRD2HTR1ADRD1HTR2AHTR2C
SCHEMBL18588559 0.73 DRD4 (0.49) DRD4SIGMAR1TMEM97DRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-03 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 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 (2 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-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BRD9, BRD1, BRD2 DRD4 257/4885SIGMAR1 3476/4885TMEM97 2828/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 DRD4 233/4885SIGMAR1 3944/4885TMEM97 3056/4885

“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.