SCHEMBL20183858

SCHEMBL20183858

CCCc1ccc(C(=O)N(C)c2ccc3c(c2)c(C2CC2)cc(=O)n3CC)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PTGIR P43119 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
RORC P51449 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL20183710 0.92 SMN1; SMN2 (0.37) NPY5RALDH1A1KDM4EMAPTGLA
SCHEMBL20183794 0.92 NPY5R (0.38) NPY5RTRPV1ALDH1A1KDM4EMAPT
SCHEMBL20354308 0.92 KDM4E (0.36) NPY5RESR1ESR2TRPV1ALDH1A1
SCHEMBL20183805 0.90 ALDH1A1 (0.37) NPY5RALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL20183680 0.89 MCHR1 (0.39) NPY5RALDH1A1KDM4EPER2CRY1
SCHEMBL20183518 0.89 BRD4 (0.39) NPY5RALDH1A1KDM4EMAPTGLA
SCHEMBL20183564 0.89 ALDH1A1 (0.35) NPY5RALDH1A1KDM4EMAPTGLA
SCHEMBL20183717 0.89 HPGD (0.36) NPY5RALDH1A1KDM4EMAPTTP53
SCHEMBL20183620 0.88 ITK (0.38) NPY5RALDH1A1KDM4EMAPTPER2
SCHEMBL20183493 0.88 MAPT (0.37) NPY5RALDH1A1KDM4EMAPTSMN1; SMN2

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 1685/4885ESR1 2756/4885ESR2 2463/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 NPY5R 1196/4885ESR1 4549/4885ESR2 3291/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 NPY5R 1685/4885ESR1 2756/4885ESR2 2463/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 NPY5R 1196/4885ESR1 4549/4885ESR2 3291/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 NPY5R 991/4885ESR1 4623/4885ESR2 3230/4885

“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.