SCHEMBL20539852

SCHEMBL20539852

O=C(O)N1CCCC1c1nc2cc(Br)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.54
HCRTR2 O43614 12/20 0.54
PRCP P42785 4/20 0.46

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
SCHEMBL16499089 1.00 HCRTR1 (0.54) HCRTR1HCRTR2PRCP
SCHEMBL16499547 0.91 HCRTR1 (0.51) HCRTR1HCRTR2PRCP
SCHEMBL1293347 0.91 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1293678 0.90 HCRTR1 (0.51) HCRTR1HCRTR2PRCP
SCHEMBL16927259 0.88 HCRTR1 (0.51) HCRTR1HCRTR2PRCP
SCHEMBL16499504 0.86 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL6123433 0.86 HCRTR1 (0.47) HCRTR1HCRTR2PRCP
SCHEMBL629480 0.85 PRCP (0.46) HCRTR1HCRTR2PRCP
SCHEMBL16499174 0.85 HCRTR1 (0.46) HCRTR1HCRTR2PRCP
SCHEMBL1982288 0.85 HCRTR1 (0.49) HCRTR1HCRTR2PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
CN-108349945-B HCV inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2021-10-29 CN disclosed
EP-3612525-B1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES INC (US) 2021-10-27 EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
CN-110799509-A PD-1/PD-L1 inhibitors 吉利德科学公司 2020-02-14 CN disclosed
US-20180305315-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2018-10-25 US 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 (2 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 HCRTR1 3674/4885HCRTR2 3725/4885PRCP 1873/4885
US-20180305315-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 HCRTR1 3674/4885HCRTR2 3725/4885PRCP 1873/4885

“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.