SCHEMBL3347567

SCHEMBL3347567

COc1ccc(F)cc1-c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.47
HTR1A P08908 9/20 0.47
HTR2B P41595 9/20 0.47
HTR5A P47898 8/20 0.47
HTR6 P50406 7/20 0.47
HTR1D P28221 7/20 0.47
HTR1B P28222 7/20 0.47
HTR2A P28223 7/20 0.47
HTR2C P28335 6/20 0.47
HTR1E P28566 5/20 0.47
HTR3A P46098 1/20 0.47
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45

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
SCHEMBL27695445 0.87 AMY1A (0.46) HTR7NPC1RAB9ASMN1; SMN2JAK2
SCHEMBL30930963 0.84 CREBBP (0.42) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17633589 0.84 HTR7 (0.56) HTR7HTR1AHTR2BHTR5AHTR6
SCHEMBL6269721 0.83 HTR1A (0.56) HTR7HTR1AHTR2BHTR5AHTR6
SCHEMBL8940603 0.83 ERN1 (0.51) HTR7MEN1NPC1RAB9AKMT2A
SCHEMBL3207761 0.83 HSP90AA1 (0.43) NPC1RAB9ASMN1; SMN2CTSANR3C1
SCHEMBL4959585 0.81 NR3C1 (0.47) NPC1ALDH1A1TP53TSHRRAB9A
SCHEMBL18516342 0.81 HTR1A (0.54) HTR7HTR1AHTR2BHTR5AHTR6
SCHEMBL27985522 0.81 L3MBTL1 (0.54) HTR7HTR1AHTR2BHTR5AHTR6
SCHEMBL4620558 0.79 JAK2 (0.52) HTR7MEN1NPC1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169581-A1 DIRECT AROMATIC CARBON-OXYGEN AND CARBON-HYDROGEN BOND FUNCTIONALIZATION VIA ORGANIC PHOTOREDOX CATALYST THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2022-06-02 US disclosed
US-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2010-06-24 US disclosed
US-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2010-06-24 US disclosed
US-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2010-06-24 US disclosed
CN-101203505-A Chromane and chromene derivatives and uses thereof WYETH CORP (US) 2008-06-18 CN disclosed
WO-2008052078-A2 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 WO disclosed
WO-2008052078-A2 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 WO disclosed
CN-1997635-A Dihydrobenzofuranyl alkanamine derivatives as 5HT2C agonists WYETH CORP (US) 2007-07-11 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-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF HTR2C, HTR3B, HTR1A HTR7 10/4885HTR1A 3/4885HTR2B 4/4885
US-20220169581-A1 DIRECT AROMATIC CARBON-OXYGEN AND CARBON-HYDROGEN BOND FUNCTIONALIZATION VIA ORGANIC PHOTOREDOX CATALYST PPOX, CYCS, SCO2 HTR7 1995/4885HTR1A 2017/4885HTR2B 1341/4885

“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.