SCHEMBL20183755

SCHEMBL20183755

CCc1ccc(C(=O)N(C)c2ccc3c(c2)c(C2CC2)cc(=O)n3CC)c(N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
ALDH1A1 P00352 5/20 0.33
RORC P51449 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 5/20 0.33
TSHR P16473 3/20 0.33
HPGD P15428 3/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B10 Q99714 1/20 0.31
USP2 O75604 1/20 0.31
UBE2N P61088 1/20 0.31
TP53 P04637 2/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL20183844 0.93 NPY5R (0.35) NPY5RHTR3EHTR3BHTR3AHTR3D
SCHEMBL20183718 0.91 NPY5R (0.34) NPY5RHTR3EHTR3BHTR3AHTR3D
SCHEMBL20806146 0.90 TP53 (0.35) NPY5RHTR3EHTR3BHTR3AHTR3D
SCHEMBL20183793 0.90 HSP90AA1 (0.36) NPY5RHTR3EHTR3BHTR3AHTR3D
SCHEMBL20183580 0.89 PER2 (0.35) NPY5RHTR3EHTR3BHTR3AHTR3D
SCHEMBL20183742 0.88 ALDH1A1 (0.38) NPY5RHTR3EHTR3BHTR3AHTR3D
SCHEMBL20183679 0.88 TP53 (0.38) NPY5RHTR3EHTR3BHTR3AHTR3D
SCHEMBL20183692 0.87 PDE4A (0.36) NPY5RALDH1A1RORCSMN1; SMN2KDM4E
SCHEMBL20183710 0.86 SMN1; SMN2 (0.37) NPY5RHTR3EHTR3BHTR3AHTR3D
SCHEMBL20183608 0.83 RORC (0.38) NPY5RHTR3EHTR3BHTR3AHTR3D

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 15 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
EP-3563851-B1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORP (JP) 2021-04-21 EP disclosed
EP-3327004-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORP (JP) 2020-11-04 EP 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
WO-2018124180-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR 富士フイルム株式会社 2018-07-05 WO 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 NPY5R 1685/4885HTR3E 3352/4885HTR3B 3784/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 NPY5R 1196/4885HTR3E 3133/4885HTR3B 2381/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 NPY5R 1685/4885HTR3E 3352/4885HTR3B 3784/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 NPY5R 1196/4885HTR3E 3133/4885HTR3B 2381/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 NPY5R 991/4885HTR3E 3543/4885HTR3B 3233/4885

“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.