SCHEMBL20183718

SCHEMBL20183718

CCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccc(CCC4CC4)cc3N)ccc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.34
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TBK1 Q9UHD2 1/20 0.31
RORC P51449 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR2 P34972 3/20 0.31
CNR1 P21554 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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 0.92 NPY5R (0.35) NPY5RALOX15ALDH1A1RORCSMN1; SMN2
SCHEMBL20183755 0.91 NPY5R (0.34) NPY5RALOX15ALDH1A1RORCSMN1; SMN2
SCHEMBL20183794 0.87 NPY5R (0.38) NPY5RALDH1A1RORCCNR2CNR1
SCHEMBL20183793 0.86 HSP90AA1 (0.36) NPY5RALDH1A1RORCSMN1; SMN2HTR3E
SCHEMBL20806146 0.86 TP53 (0.35) NPY5RALOX15ALDH1A1RORCSMN1; SMN2
SCHEMBL20183580 0.85 PER2 (0.35) NPY5RALDH1A1RORCHTR3EHTR3B
SCHEMBL20183692 0.85 PDE4A (0.36) NPY5RALDH1A1RORCSMN1; SMN2KDM4E
SCHEMBL20183742 0.84 ALDH1A1 (0.38) NPY5RALDH1A1RORCSMN1; SMN2HTR3E
SCHEMBL20183679 0.84 TP53 (0.38) NPY5RALDH1A1RORCSMN1; SMN2HTR3E
SCHEMBL20183481 0.80 KDM4E (0.43) NPY5RALDH1A1RORCSMN1; SMN2HTR3E

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 14 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
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 1685/4885ALOX15 3027/4885ALDH1A1 3243/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 NPY5R 1196/4885ALOX15 1808/4885ALDH1A1 3095/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 NPY5R 1685/4885ALOX15 3027/4885ALDH1A1 3243/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 NPY5R 1196/4885ALOX15 1808/4885ALDH1A1 3095/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 NPY5R 991/4885ALOX15 1340/4885ALDH1A1 2674/4885

“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.