SCHEMBL3608833

SCHEMBL3608833

CC(F)(F)c1c[c]ccc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL3605948 0.86 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL17134055 0.83 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL10706522 0.83 NR1H2 (0.32) ALDH1A1TSHR
SCHEMBL3371 0.81 TSHR (0.48) ALDH1A1TSHRMAPK1
Water SCHEMBL27821326 0.81 TSHR (0.48) ALDH1A1TSHRMAPK1
SCHEMBL5838774 0.81 ESR1 (0.38) ALDH1A1TSHRMAPK1
SCHEMBL24702 0.81 TSHR (0.35) ALDH1A1TSHRMAPK1
SCHEMBL3891340 0.79 TSHR (0.46) ALDH1A1TSHRMAPK1
SCHEMBL20526431 0.79 TSHR (0.46) ALDH1A1TSHRMAPK1
Benzene SCHEMBL8005754 0.79 TSHR (0.52) ALDH1A1TSHRMAPK1

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 52 patents — showing the first 20. 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 claimed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US claimed
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN claimed
EP-3983073-A1 SUBSTITUTED PYRAZOLO[4,3-B]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 EP claimed
CN-113993583-A Substituted pyrazolo [4,3-b ] pyridines and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2022-01-28 CN claimed
US-11161846-B2 Substituted pyrazolo[4,3-b]pyridines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-11-02 US claimed
CN-109071488-B Substituted 1,2, 3-triazoles as NR 2B-selective NMDA modulators 詹森药业有限公司 2021-08-13 CN claimed
US-20200392130-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 US claimed
WO-2020249791-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 WO claimed
US-10766880-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators JANSSEN PHARMACEUTICA NV (BE) 2020-09-08 US claimed
US-20190135791-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-05-09 US claimed
CN-109071488-A Substituted 1,2,3- triazole is as NR2B- selective NMDA regulator 詹森药业有限公司 2018-12-21 CN claimed
US-20170226089-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-10 US claimed
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
WO-2023178130-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-09-21 WO disclosed
EP-2010504-A1 QUINAZOLIN-4-ONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007118900-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
WO-2007119055-A1 QUINAZOLIN-4-ONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2007-10-25 WO 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-20200392130-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN3B, GRIN3A ALDH1A1 2061/4885TSHR 722/4885MAPK1 1228/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP ALDH1A1 472/4885TSHR 1023/4885MAPK1 4544/4885
US-10766880-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators GRIN3A, GRIN3B, GRIN1 ALDH1A1 3429/4885TSHR 1034/4885MAPK1 1716/4885
US-11161846-B2 Substituted pyrazolo[4,3-b]pyridines and their use as GluN2B receptor modulators GRIN2B, GRIN3B, GRIN3A ALDH1A1 2061/4885TSHR 722/4885MAPK1 1228/4885
US-20170226089-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS GRIN3A, GRIN3B, GRIN1 ALDH1A1 3429/4885TSHR 1034/4885MAPK1 1716/4885
US-20190135791-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS GRIN3A, GRIN3B, GRIN1 ALDH1A1 3429/4885TSHR 1034/4885MAPK1 1716/4885
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 450/4885TSHR 1036/4885MAPK1 4536/4885

“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.