SCHEMBL20183829

SCHEMBL20183829

CCn1c(=O)cc(CCCCO)c2cc(N(C)C(=O)c3ccccc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.41
NAMPT P43490 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 4/20 0.38
PKM P14618 1/20 0.38
ITK Q08881 3/20 0.38
INSR P06213 2/20 0.38
RORC P51449 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL20183872 0.92 NPY5R (0.42) NPY5RMAPTLMNAHTTKDM4E
SCHEMBL20183719 0.88 KDM4E (0.44) NPY5RMAPTLMNAKDM4EALDH1A1
SCHEMBL20183869 0.84 NPY5R (0.39) NPY5RMAPTHTTKDM4EALDH1A1
SCHEMBL20183843 0.79 RORC (0.44) NPY5RMAPTLMNAKDM4EALDH1A1
SCHEMBL20183768 0.78 KDM4E (0.39) NPY5RMAPTLMNAHTTKDM4E
SCHEMBL20183611 0.78 RORC (0.43) NPY5RMAPTLMNAKDM4EALDH1A1
SCHEMBL20183851 0.78 ALDH1A1 (0.41) NPY5RMAPTHTTKDM4EALDH1A1
SCHEMBL20788171 0.77 RORC (0.45) NPY5RNAMPTLMNAHTTKDM4E
SCHEMBL20806258 0.77 KDM4E (0.39) NPY5RMAPTKDM4EALDH1A1PKM
SCHEMBL20183853 0.76 LMNA (0.38) NPY5RLMNAKDM4EALDH1A1ITK

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 13 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-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
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
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 1685/4885NAMPT 1500/4885MAPT 3928/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 NPY5R 1196/4885NAMPT 718/4885MAPT 4325/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 NPY5R 1685/4885NAMPT 1500/4885MAPT 3928/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 NPY5R 1196/4885NAMPT 718/4885MAPT 4325/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 NPY5R 991/4885NAMPT 2654/4885MAPT 4406/4885

“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.