SCHEMBL17830452

SCHEMBL17830452

CC(C)NCC(C)(C)C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
ADRA1A P35348 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL19090780 0.81 MEN1 (0.38) LMNA
SCHEMBL15723271 0.79 KDM4E (0.30) TDP1
SCHEMBL12269165 0.79 ACACB (0.36) TSHRTDP1ARG1ARG2
SCHEMBL20988204 0.78 CA1 (0.32) LMNAADRA1ATDP1
SCHEMBL24831441 0.77 CYP1A2 (0.34) TDP1
SCHEMBL4545483 0.76 DGAT1 (0.35) TDP1
SCHEMBL8466979 0.74 CYP2D6 (0.33) ADRB2ADRB1ADRB3
SCHEMBL19851260 0.73
SCHEMBL15726863 0.73
SCHEMBL27425112 0.72 DGAT1 (0.42) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713307-B2 Heteroaryl-biphenyl amides for the treatment of PD-L1 diseases CHEMOCENTRYX, INC. (US) 2023-08-01 US disclosed
US-20230044941-A1 TRIARYL COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. 2023-02-09 US disclosed
US-11266643-B2 Triaryl compounds for treatment of PD-L1 diseases CHEMOCENTRYX, INC. (US) 2022-03-08 US disclosed
US-20210130347-A1 HETEROARYL-BIPHENYL AMINES FOR THE TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. 2021-05-06 US disclosed
US-20210130325-A1 HETEROARYL-BIPHENYL AMIDES FOR THE TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. 2021-05-06 US disclosed
US-20200383979-A1 TRIARYL COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. 2020-12-10 US disclosed
US-9775831-B2 Combinations comprising biphenyl derivatives for use in the treatment of HCV BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9775831-B2 Combinations comprising biphenyl derivatives for use in the treatment of HCV BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-20160166545-A1 COMBINATIONS COMPRISING BIPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF HCV BRISTOL MYERS SQUIBB CO (US) 2016-06-16 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 (7 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-20160166545-A1 COMBINATIONS COMPRISING BIPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF HCV HAVCR2, EIF2AK2, MAVS TSHR 3812/4885LMNA 4523/4885CYP3A4 1578/4885
US-11713307-B2 Heteroaryl-biphenyl amides for the treatment of PD-L1 diseases CD274, PDCD1LG2, PDCD1 TSHR 98/4885LMNA 1671/4885CYP3A4 1485/4885
US-20210130347-A1 HETEROARYL-BIPHENYL AMINES FOR THE TREATMENT OF PD-L1 DISEASES CD274, PDCD1LG2, PDCD1 TSHR 92/4885LMNA 1375/4885CYP3A4 1337/4885
US-20200383979-A1 TRIARYL COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES CD274, PDCD1, PDCD1LG2 TSHR 61/4885LMNA 762/4885CYP3A4 2158/4885
US-20210130325-A1 HETEROARYL-BIPHENYL AMIDES FOR THE TREATMENT OF PD-L1 DISEASES CD274, PDCD1LG2, PDCD1 TSHR 98/4885LMNA 1671/4885CYP3A4 1485/4885
US-20230044941-A1 TRIARYL COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES CD274, PDCD1, PDCD1LG2 TSHR 61/4885LMNA 762/4885CYP3A4 2158/4885
US-11266643-B2 Triaryl compounds for treatment of PD-L1 diseases CD274, PDCD1, PDCD1LG2 TSHR 61/4885LMNA 762/4885CYP3A4 2158/4885

“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.