SCHEMBL4171302

SCHEMBL4171302

OC1CCOC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TSHR P16473 3/20 0.43
CYP2C19 P33261 2/20 0.43
HTR1A P08908 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC18A3 Q16572 7/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 1/20 0.40
APEX1 P27695 1/20 0.40
BLM P54132 1/20 0.40
GBA1 P04062 1/20 0.38

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
SCHEMBL9220859 1.00 SMN1; SMN2 (0.44) SMN1; SMN2SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL26088568 0.77 TSHR (0.52) SMN1; SMN2SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL26088571 0.77 TSHR (0.52) SMN1; SMN2SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL19668097 0.76 SLC6A2 (0.47) SMN1; SMN2SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL19668081 0.76 SLC6A2 (0.47) SMN1; SMN2SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL19668060 0.76 SLC6A2 (0.47) SMN1; SMN2SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL4171082 0.76 MAOB (0.48) SMN1; SMN2SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL4171085 0.76 MAOB (0.48) SMN1; SMN2SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL4171081 0.76 MAOB (0.48) SMN1; SMN2SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL4790557 0.76 SMN1; SMN2 (0.46) SMN1; SMN2SLC6A2ADRA1AHTR2BSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624131-A 3- [ (1H-pyrazol-4-yl) oxy ] pyrazin-2-amine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-03-01 CN disclosed
CN-117624130-A 3- [ (1H-pyrazol-4-yl) oxy ] pyrazin-2-amine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-03-01 CN disclosed
CN-116323565-A 3- [ (1H-pyrazol-4-yl) oxy ] pyrazin-2-amine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2023-06-23 CN disclosed
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
US-20090170902-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-07-02 US disclosed
US-20090170902-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-07-02 US disclosed
US-20090170902-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-07-02 US disclosed
EP-1706205-B1 A CATALYTICAL ASYMMETRIC EPOXIDATION UNIV CHICAGO (US) 2008-10-29 EP disclosed
EP-1981864-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-22 EP disclosed
US-20070203347-A1 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-08-30 US disclosed
US-20070203347-A1 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-08-30 US disclosed
WO-2007090841-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-08-16 WO disclosed
WO-2007090841-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-08-16 WO disclosed
US-7202371-B2 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-04-10 US disclosed
US-7202371-B2 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-04-10 US disclosed
US-4146384-A Tetrahydrofuran-ether compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1979-03-27 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 (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-20070203347-A1 Catalytic asymmetric epoxidation DUOX1, DUOX2, EPHX2 SMN1; SMN2 4555/4885SLC6A2 4259/4885ADRA1A 1853/4885
US-20090170902-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GRIN1, GRM1, GRIN2C SMN1; SMN2 2659/4885SLC6A2 218/4885ADRA1A 414/4885

“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.