SCHEMBL25831748

SCHEMBL25831748

FC(F)(F)c1cccc(C2CO2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.62
HTR2B P41595 3/20 0.55
CHRM2 P08172 1/20 0.55
DRD3 P35462 1/20 0.55
HTR2C P28335 4/20 0.53
HTR2A P28223 2/20 0.53
TSHR P16473 2/20 0.48
DRD2 P14416 1/20 0.48
TEAD1 P28347 1/20 0.47
PARP1 P09874 1/20 0.46
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
FFAR1 O14842 2/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL6541552 1.00 HTR1A (0.62) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL6492774 1.00 HTR1A (0.62) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL5698951 1.00 HTR1A (0.62) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL12186548 0.82 HTR1A (0.59) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL15154705 0.82 HTR1A (0.59) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL2599515 0.82 HTR1A (0.59) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL12186572 0.82 HTR1A (0.59) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL20262054 0.82 HTR1A (0.59) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL12186565 0.82 HTR1A (0.59) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL12186569 0.82 HTR1A (0.59) HTR1AHTR2BCHRM2DRD3HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-11710854-B2 Functional epoxides in catalyst-based electrolyte compositions for Li-ion batteries ENEVATE CORPORATION (US) 2023-07-25 US disclosed
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2023-07-20 US disclosed
EP-4212531-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2023-07-19 EP disclosed
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2023-01-12 US disclosed
US-20220140392-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION 2022-05-05 US disclosed
US-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B CADENT THERAPEUTICS, INC (US) 2021-09-14 US disclosed
US-20170071906-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B LUC THERAPEUTICS, INC. 2017-03-16 US disclosed
US-20170071906-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B LUC THERAPEUTICS, INC. 2017-03-16 US disclosed
US-9540324-B2 Selective octahydro-cyclopenta[C] pyrrole negative modulators of NR2B LUC THERAPEUTICS, INC. (US) 2017-01-10 US disclosed
US-9540324-B2 Selective octahydro-cyclopenta[C] pyrrole negative modulators of NR2B LUC THERAPEUTICS, INC. (US) 2017-01-10 US disclosed
US-9487510-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-11-08 US disclosed
US-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B NOVARTIS AG (CH) 2015-08-13 US disclosed
US-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B NOVARTIS AG (CH) 2015-08-13 US disclosed
WO-2015048507-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B MNEMOSYNE PHARMACEUTICALS, INC. (US) 2015-04-02 WO disclosed
US-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr. Reeddy's Laboratories Ltd. (IN) 2015-01-29 US disclosed
WO-2011146850-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2011-11-24 WO disclosed
CN-1069022-A 4-[2-(2-hydroxyl-2-benzene ethylamino) oxyethyl group that is used for the treatment of obesity and correlation behavior] phenylacetic acid derivatives ICI PLC (GB) 1993-02-17 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 (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-20170071906-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A HTR1A 200/4885HTR2B 130/4885CHRM2 836/4885
US-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 HTR1A 278/4885HTR2B 322/4885CHRM2 123/4885
US-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A HTR1A 200/4885HTR2B 130/4885CHRM2 836/4885
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A HTR1A 200/4885HTR2B 130/4885CHRM2 836/4885
US-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A HTR1A 200/4885HTR2B 130/4885CHRM2 836/4885
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK7 HTR1A 2671/4885HTR2B 2102/4885CHRM2 2451/4885

“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.