SCHEMBL828814

SCHEMBL828814

CC1(C)OCc2cc(Br)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
AHR P35869 3/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
SLC6A4 P31645 1/20 0.33
BRD4 O60885 1/20 0.33
BACE1 P56817 3/20 0.32
PBRM1 Q86U86 1/20 0.32
CTSD P07339 1/20 0.32
HTR2B P41595 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
TDP2 O95551 1/20 0.31
ADRA2A P08913 1/20 0.31
PNMT P11086 1/20 0.31
ADRA2B P18089 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
SCHEMBL29449927 0.86 AHR (0.36) AHRTSHRLMNAMAPTHTT
SCHEMBL14881392 0.86 AHR (0.36) AHRTSHRLMNAMAPTHTT
SCHEMBL6155589 0.83 TUBB4A (0.38) LMNAMAPTHTT
SCHEMBL10257181 0.80 MMP12 (0.38) TSHRMAPTHTTBRD4HTR2B
SCHEMBL6158548 0.80 ATM (0.38) BACE1
SCHEMBL23705252 0.79 SMN1; SMN2 (0.44) TSHRLMNAMAPT
SCHEMBL6157517 0.78 HIF1A (0.35) TSHR
SCHEMBL23589324 0.76 TSHR (0.33) TSHR
SCHEMBL23612453 0.76 PARP1 (0.42) TSHR
SCHEMBL6155424 0.75 CYP4F2 (0.36) TSHR

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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
EP-4020081-B1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM, PATTERNING PROCESS, AND SILICON COMPOUND SHINETSU CHEMICAL CO (JP) 2023-05-17 EP disclosed
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2023-02-21 US disclosed
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2023-02-21 US disclosed
EP-4020081-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM, PATTERNING PROCESS, AND SILICON COMPOUND Shin-Etsu Chemical Co., Ltd. (JP) 2022-06-29 EP disclosed
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2022-01-06 US disclosed
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2022-01-06 US disclosed
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 US disclosed
CN-112313229-A Substituted aminothiazoles as inhibitors of nucleases 马萨里克大学 2021-02-02 CN disclosed
WO-2019201865-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2019-10-24 WO disclosed
EP-0882704-B1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES KISSEI PHARMACEUTICAL (JP) 2002-10-09 EP disclosed
US-6388134-B1 CHEMICAL INTERMEDIATES INKE, S.A. (ES) 2002-05-14 US disclosed
EP-1132373-A2 NEW DERIVATIVES OF 6-(4-PHENYLBUTOXY)HEXYLAMINE AND PROCESS FOR PRODUCING SALMETEROL VITA-INVEST, S.A. (ES) 2001-09-12 EP disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
US-6133266-A 3,4-disubstituted phenylethanolaminotetralincarboxamide derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed
EP-0882704-A1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed
EP-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 EP disclosed
US-4814343-A ANTIISCHEMIC U C B, S.A. (BE) 1989-03-21 US disclosed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP 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-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases RNASEH1, DNASE1, FEN1 FAAH 4553/4885AHR 2832/4885TSHR 1512/4885
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB FAAH 963/4885AHR 36/4885TSHR 1403/4885
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES RNASEH1, DNASE1, FEN1 FAAH 4553/4885AHR 2832/4885TSHR 1512/4885

“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.