SCHEMBL5077987

SCHEMBL5077987

COC(=O)C(Br)c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.47
HTT P42858 1/20 0.47
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL11564487 0.92 MAPT (0.51) GSK3BHTTMAPTKDM4EKMT2A
SCHEMBL9259272 0.83 GSK3B (0.45) GSK3BHTTADRB2ADRB1ADRB3
SCHEMBL7116483 0.81 GSK3B (0.49) GSK3BMAPTKMT2AMEN1ALDH1A1
SCHEMBL1565767 0.81 HTT (0.48) GSK3BHTTADRB2ADRB1ADRB3
SCHEMBL1565766 0.81 HTT (0.48) GSK3BHTTADRB2ADRB1ADRB3
SCHEMBL8224397 0.81 HTT (0.48) GSK3BHTTADRB2ADRB1ADRB3
SCHEMBL9727087 0.80 GSK3B (0.52) GSK3BHTTMAPTKDM4EGAA
SCHEMBL20943229 0.79 HTT (0.47) GSK3BHTTADRB2ADRB1ADRB3
SCHEMBL14448526 0.79 HTT (0.47) GSK3BHTTADRB2ADRB1ADRB3
SCHEMBL8881032 0.78 ESR1 (0.54) MAPTKMT2ALMNACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250223307-A1 MDM2/MDMX DOUBLE-TARGET INHIBITOR COMPOUND, PRODRUG, PHARMACEUTICAL COMPOSITION, AND PREPARATION METHOD THEREFOR AND USE THEREOF GLOBAL HEALTH DRUG DISCOVERY INSTITUTE (CN) 2025-07-10 US disclosed
EP-4582420-A1 MDM2/MDMX DOUBLE-TARGET INHIBITOR COMPOUND, PRODRUG, PHARMACEUTICAL COMPOSITION, AND PREPARATION METHOD THEREFOR AND USE THEREOF Global Health Drug Discovery Institute (CN) 2025-07-09 EP disclosed
CN-118063438-A MDM2/MDMX double-target inhibitor compound, prodrug, pharmaceutical composition, preparation method and application thereof 北京华益健康药物研究中心 2024-05-24 CN disclosed
US-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US disclosed
EP-1948629-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-30 EP disclosed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY5R, NPY4R GSK3B 3470/4885HTT 2233/4885ADRB2 322/4885
US-20250223307-A1 MDM2/MDMX DOUBLE-TARGET INHIBITOR COMPOUND, PRODRUG, PHARMACEUTICAL COMPOSITION, AND PREPARATION METHOD THEREFOR AND USE THEREOF MDM2, TP53, TP53BP1 GSK3B 73/4885HTT 3514/4885ADRB2 4555/4885

“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.