SCHEMBL20183769

SCHEMBL20183769

CCn1c(=O)cc(C2CC2)c2cc(-n3c(-c4ccc(Cl)cc4)cn(C)c3=O)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.34
SLC6A4 P31645 2/20 0.34
KCNH2 Q12809 5/20 0.34
MLNR O43193 1/20 0.33
CACNA1F O60840 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
ABCB1 P08183 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
MAOA P21397 1/20 0.33
CNR1 P21554 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL20183589 0.91 TP53 (0.33) DRD2SLC6A4HTR1AHTR1BMCHR1
SCHEMBL20788152 0.88 AR (0.35) DRD2SLC6A4HTR1AHTR1BHTR2C
SCHEMBL20183535 0.84 MAPT (0.33) DRD2SLC6A4KCNH2MLNRCACNA1F
SCHEMBL20354299 0.82 HTR1A (0.33) DRD2HTR1AHTR1BHPGDNPSR1
SCHEMBL20183818 0.80 BRD4 (0.37) ALDH1A1LMNAHPGDMCHR1NPSR1
SCHEMBL20183876 0.75 TP53 (0.33) DRD2HTR1AHTR1BHTR2CHRH1
SCHEMBL20183683 0.75 KDM4E (0.40) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL20183722 0.72 AR (0.35) DRD2KCNH2HTR1AHTR1BHTR2C
SCHEMBL20183526 0.72 ALDH1A1 (0.42) ALDH1A1LMNAHPGDHTTNPSR1
SCHEMBL20183530 0.72 BRD4 (0.38) ALDH1A1LMNAHPGDHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10987349-B2 Antitumor agent and bromodomain inhibitor FUJIFILM CORPORATION (JP) 2021-04-27 US disclosed
US-10987349-B2 Antitumor agent and bromodomain inhibitor FUJIFILM CORPORATION (JP) 2021-04-27 US disclosed
US-10696637-B2 Nitrogen-containing heterocyclic compound FUJIFILM CORPORATION (JP) 2020-06-30 US disclosed
US-10696637-B2 Nitrogen-containing heterocyclic compound FUJIFILM CORPORATION (JP) 2020-06-30 US disclosed
US-10633343-B2 2020-04-28 US disclosed
US-10633343-B2 2020-04-28 US disclosed
EP-3563851-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM Corporation (JP) 2019-11-06 EP disclosed
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORPORATION (JP) 2019-10-17 US disclosed
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORPORATION (JP) 2019-10-17 US disclosed
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORPORATION (JP) 2019-03-14 US disclosed
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORPORATION (JP) 2019-03-14 US disclosed
EP-3327004-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Fujifilm Corporation (JP) 2018-05-30 EP 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 (5 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-10987349-B2 Antitumor agent and bromodomain inhibitor BRD4, BRD1, BRD3 DRD2 1322/4885SLC6A4 4873/4885KCNH2 633/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 DRD2 2443/4885SLC6A4 2016/4885KCNH2 208/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 DRD2 1322/4885SLC6A4 4873/4885KCNH2 633/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 DRD2 2443/4885SLC6A4 2016/4885KCNH2 208/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 DRD2 3407/4885SLC6A4 2574/4885KCNH2 201/4885

“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.