SCHEMBL17004397

SCHEMBL17004397

Brc1ccccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.43
IDO1 P14902 2/20 0.42
TSHR P16473 2/20 0.36
CYP2A13 Q16696 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM1A O60341 1/20 0.35
PYCR1 P32322 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL4117115 0.84 TSHR (0.32) TSHR
SCHEMBL17019230 0.79 TAAR1 (0.50) TAAR1IDO1TSHRCYP2A13ALDH1A1
SCHEMBL16368768 0.78 TRPA1 (0.37) TSHRALDH1A1
SCHEMBL22171541 0.77 MEN1 (0.38) IDO1HSD17B10MEN1KMT2ALMNA
SCHEMBL18304382 0.77 PYCR1 (0.39) IDO1ALDH1A1PYCR1CYP1A2CYP2C19
SCHEMBL22171500 0.77 MAPT (0.36) ALDH1A1CYP1A2CYP2D6NFKB1CYP2C19
SCHEMBL24331506 0.75 ALDH1A1 (0.39) TAAR1TSHRALDH1A1CYP1A2CYP2D6
SCHEMBL8652770 0.74 MAPT (0.31)
SCHEMBL5972854 0.74 TAAR1 (0.45) TAAR1IDO1CYP2A13ALDH1A1KDM1A
SCHEMBL4547674 0.74 HSPA5 (0.50) TAAR1IDO1TSHRCYP2D6HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US disclosed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US disclosed
WO-2023062575-A1 CYCLIC VINYL SULFONE COMPOUNDS AS WRN INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-20 WO disclosed
US-9831438-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-28 US disclosed
US-20160020400-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2016-01-21 US disclosed
EP-2550258-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-08-19 EP disclosed
CN-1043349-C New sulfuric acid esters of sugar alcohols HOFFMANN LA ROCHE (CH) 1999-05-12 CN disclosed
CN-1109889-A New sulfuric acid esters of sugar alcohols HOFFMANN LA ROCHE (CH) 1995-10-11 CN 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-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP TAAR1 339/4885IDO1 441/4885TSHR 1023/4885
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators MGLL, LPL, PNLIP TAAR1 337/4885IDO1 430/4885TSHR 1036/4885

“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.