SCHEMBL25928002

SCHEMBL25928002

CC(C)c1ncc(C2CC2)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
HRH1 P35367 1/20 0.33
PSMB5 P28074 1/20 0.33
IGF1R P08069 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
ADRB3 P13945 1/20 0.31
ADRA1D P25100 1/20 0.31
SLC6A4 P31645 1/20 0.31
ABAT P80404 1/20 0.31
DHODH Q02127 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31

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
SCHEMBL21139636 0.79 S1PR1 (0.44) KDM4EPDGFRBPDGFRAS1PR1S1PR3
SCHEMBL21446938 0.79 S1PR3 (0.38) KDM4EPDGFRBPDGFRAS1PR1S1PR3
SCHEMBL21367908 0.78 KDM4E (0.38) KDM4EPDGFRBPDGFRAHRH4HRH3
SCHEMBL25928022 0.78 KDM4E (0.35) KDM4EPDGFRBPDGFRAPSMB5IGF1R
SCHEMBL26137567 0.78 CHRNA7 (0.33) S1PR1S1PR3IGF1R
SCHEMBL31329930 0.74 CHRNB2 (0.41) KDM4E
SCHEMBL2250114 0.74 HTT (0.52) KDM4EPDGFRBPDGFRAHRH4HRH3
SCHEMBL25928008 0.74 PAK4 (0.35) S1PR1S1PR3
SCHEMBL25896493 0.74 OPRK1 (0.36) S1PR1S1PR3
SCHEMBL25928404 0.73 PPARA (0.34) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 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 (3 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH KDM4E 3629/4885PDGFRB 1086/4885PDGFRA 2160/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH KDM4E 3553/4885PDGFRB 239/4885PDGFRA 599/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH KDM4E 3553/4885PDGFRB 239/4885PDGFRA 599/4885

“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.