SCHEMBL19251066

SCHEMBL19251066

CCCC(C)(C)c1cncc(F)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.32
CYP11B1 P15538 4/20 0.32
CYP11B2 P19099 4/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
ESR1 P03372 1/20 0.31
AR P10275 1/20 0.31
ESR2 Q92731 1/20 0.31
TLR8 Q9NR97 2/20 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
SCHEMBL19139344 0.89 CNR2 (0.38) CNR1CNR2ESR1ESR2TLR8
SCHEMBL22752310 0.86 CNR2 (0.45) CNR1CNR2
SCHEMBL19251067 0.86 CNR2 (0.45) CNR1CNR2
SCHEMBL19633835 0.86 CNR2 (0.35) CNR1CNR2ESR1ARESR2
SCHEMBL22752346 0.85 HCAR2 (0.32) HCAR2ESR1ARESR2TLR8
SCHEMBL19251551 0.85 HCAR2 (0.34) HCAR2CYP11B1CYP11B2
SCHEMBL19251180 0.82 HCAR2 (0.31) HCAR2CYP11B1CYP11B2ESR1ESR2
SCHEMBL19274420 0.81 CNR2 (0.33) CNR1CNR2
SCHEMBL22752359 0.80 TLR8 (0.35) ESR1ESR2TLR8
SCHEMBL18516838 0.79 CNR2 (0.36) HCAR2CYP11B1CYP11B2CNR1CNR2

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-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2022-11-15 US disclosed
US-20210188872-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORTION 2021-06-24 US disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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 (6 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-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS AHR, ARNT, AIPL1 HCAR2 21/4885CYP11B1 102/4885CYP11B2 121/4885
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP11B2, WEE2, CYP11B1 HCAR2 1889/4885CYP11B1 3/4885CYP11B2 1/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B HCAR2 3804/4885CYP11B1 313/4885CYP11B2 450/4885
US-20210188872-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 HCAR2 3599/4885CYP11B1 2022/4885CYP11B2 2391/4885
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors BRD1, BRD3, BRD2 HCAR2 3599/4885CYP11B1 2022/4885CYP11B2 2391/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B HCAR2 3904/4885CYP11B1 274/4885CYP11B2 396/4885

“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.