SCHEMBL457989

SCHEMBL457989

CC1(C)OB(C2=CCNCC2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.55
MAPK1 P28482 2/20 0.51
TSHR P16473 2/20 0.33
GABRR1 P24046 2/20 0.33
BLM P54132 2/20 0.33
RGS12 O14924 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRR2 P28476 1/20 0.33
GNAI1 P63096 1/20 0.33
PMP22 Q01453 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
Hydrochloric Acid SCHEMBL2631288 0.98 P2RX7 (0.53) P2RX7MAPK1TSHRGABRR1BLM
SCHEMBL25166342 0.89 P2RX7 (0.61) P2RX7MAPK1
Hydrochloric Acid SCHEMBL31645848 0.88 P2RX7 (0.59) P2RX7MAPK1
Trifluoroacetic Acid SCHEMBL4111685 0.85 F2 (0.42) P2RX7MAPK1TSHRGABRR1BLM
Trifluoroacetic Acid SCHEMBL29672463 0.85 F2 (0.42) P2RX7MAPK1TSHRGABRR1BLM
SCHEMBL12791545 0.81 P2RX7 (0.48) P2RX7MAPK1LPLLIPG
Hydrochloric Acid SCHEMBL29043350 0.79 P2RX7 (0.47) P2RX7MAPK1LPLLIPG
SCHEMBL4009307 0.79 P2RX7 (0.33) P2RX7MAPK1TSHRGABRR1BLM
SCHEMBL30965858 0.76 P2RX7 (0.80) P2RX7MAPK1LPLLIPG
SCHEMBL2029150 0.75 USP30 (0.37) P2RX7MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026104998-A1 SUBSTITUTED IMIDAZOPYRIDINE COMPOUND DERIVATIVES AND THEIR PHARMACEUTICAL USE AVELOS THERAPEUTICS INC. (KR) 2026-05-21 WO disclosed
US-12624044-B2 SMARCA degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2026-05-12 US disclosed
EP-4142874-B1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2026-04-22 EP disclosed
EP-3768675-B1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2026-04-01 EP disclosed
US-20260078117-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS INC (US) 2026-03-19 US disclosed
EP-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
EP-4698531-A1 PYRROLOPYRAZINE COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF Sanofi (FR) 2026-02-25 EP disclosed
US-12545689-B2 Macrocyclic LRRK2 kinase inhibitors ONCODESIGN PRECISION MEDICINE (FR) 2026-02-10 US disclosed
US-20260034140-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LTD (GB) 2026-02-05 US disclosed
US-20260035362-A1 GLP-1R AGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC (CN) 2026-02-05 US disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 WO disclosed
US-7335660-B2 Isochroman compounds for treatment of CNS disorders ELI LILLY AND COMPANY (US) 2008-02-26 US disclosed
EP-1458703-B1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS LILLY CO ELI (US) 2007-02-28 EP disclosed
WO-2007018998-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
US-20050014750-A1 Isochroman compounds for treatment of cns disorders ELI LILLY AND COMPANY 2005-01-20 US disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 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 (8 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-20260035362-A1 GLP-1R AGONISTS AND USES THEREOF GLP1R, GPR119, IAPP P2RX7 477/4885MAPK1 128/4885TSHR 153/4885
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 P2RX7 287/4885MAPK1 496/4885TSHR 3707/4885
US-12545689-B2 Macrocyclic LRRK2 kinase inhibitors LRRK2, SNCA, ROS1 P2RX7 3479/4885MAPK1 70/4885TSHR 1198/4885
US-20260034140-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK1, ROCK2, RHOA P2RX7 2945/4885MAPK1 62/4885TSHR 2279/4885
US-20050014750-A1 Isochroman compounds for treatment of cns disorders INA, CNR2, CNR1 P2RX7 1785/4885MAPK1 3140/4885TSHR 2018/4885
US-12624044-B2 SMARCA degraders and uses thereof SMARCA1, SMARCC1, SMARCA2 P2RX7 4108/4885MAPK1 2170/4885TSHR 2477/4885
US-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 P2RX7 1346/4885MAPK1 2496/4885TSHR 3174/4885
US-20260078117-A1 COMPOUNDS AND METHODS OF USE NR3C2, ADRA1A, CNR1 P2RX7 1597/4885MAPK1 3215/4885TSHR 246/4885

“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.