SCHEMBL2525907

SCHEMBL2525907

C=CCOc1cc(CCl)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.42
HTR2B P41595 8/20 0.42
HTR2A P28223 7/20 0.41
ADRB2 P07550 2/20 0.41
HTR1A P08908 2/20 0.41
CHRM5 P08912 2/20 0.41
ADRA2A P08913 2/20 0.41
DRD2 P14416 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
DRD4 P21917 2/20 0.41
HRH2 P25021 2/20 0.41
SLC6A4 P31645 2/20 0.41
HTR7 P34969 2/20 0.41
DRD3 P35462 2/20 0.41
HTR6 P50406 2/20 0.41
KCNH2 Q12809 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.37

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
SCHEMBL2523661 0.83 HTR2C (0.44) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL2523419 0.83 CYP4F2 (0.51) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL3069648 0.81 ADRA2A (0.42) HTR2CHTR2BHTR2AADRA2AADRA2B
SCHEMBL27721851 0.81 HTR2C (0.40) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL3065052 0.80 MAPT (0.41) GAATSHRLMNAALDH1A1CYP2D6
SCHEMBL7623243 0.79 MAPT (0.49) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL4879810 0.79 ALDH1A1 (0.56) GAALMNAALDH1A1CYP2D6MAPT
SCHEMBL2523355 0.78 GAA (0.45) HTR2CHTR2BHTR2AADRA2AADRA2B
SCHEMBL27726597 0.77 HTR2C (0.41) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL4523312 0.77 GAA (0.41) HTR2CHTR2AADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10822349-B2 Macrocyclic purines for the treatment of viral infections Janssen Sciences Ireland Unlimited Company (IE) 2020-11-03 US disclosed
US-20190330234-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-10-31 US disclosed
US-10280180-B2 Macrocyclic purines for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2019-05-07 US disclosed
EP-2872515-B1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-08 EP disclosed
US-20150299221-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland Unlimited Company (IE) 2015-10-22 US disclosed
US-20150299221-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland Unlimited Company (IE) 2015-10-22 US disclosed
WO-2014009509-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN R&D IRELAND (IE) 2014-01-16 WO disclosed
US-8039455-B2 Macrocyclic compounds useful as BACE inhibitors NOVARTIS AG (CH) 2011-10-18 US disclosed
US-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS NOVARTIS AG (CH) 2009-01-29 US disclosed
CN-101351455-A Macrocyclic compounds useful as BACE inhibitors NOVARTIS AG (CH) 2009-01-21 CN disclosed
EP-1968954-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077004-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (5 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-20190330234-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, HPRT1, UMPS HTR2C 1855/4885HTR2B 2622/4885HTR2A 2135/4885
US-10280180-B2 Macrocyclic purines for the treatment of viral infections PNP, HPRT1, UMPS HTR2C 1855/4885HTR2B 2622/4885HTR2A 2135/4885
US-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS SLC10A2, SLC10A1, ASAH2 HTR2C 4333/4885HTR2B 4408/4885HTR2A 4683/4885
US-20150299221-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, HPRT1, UMPS HTR2C 1855/4885HTR2B 2622/4885HTR2A 2135/4885
US-10822349-B2 Macrocyclic purines for the treatment of viral infections PNP, HPRT1, UMPS HTR2C 1855/4885HTR2B 2622/4885HTR2A 2135/4885

“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.