SCHEMBL22685367

SCHEMBL22685367

COc1cccc2c1NCCC2C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.43
F2 P00734 2/20 0.39
F12 P00748 2/20 0.39
HTR1A P08908 3/20 0.38
POLL Q9UGP5 1/20 0.38
HTR1D P28221 1/20 0.38
HTR7 P34969 1/20 0.38
HTR5A P47898 1/20 0.38
HSD11B1 P28845 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MASP2 O00187 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAPDH P04406 1/20 0.37
POLB P06746 1/20 0.37
HSPA1A P0DMV8 1/20 0.37
MAPT P10636 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
SCHEMBL28285695 0.81 F12 (0.41) HTR2CF2F12ALDH1A1MEN1
SCHEMBL28450773 0.80 HTR2C (0.41) HTR2CF2F12HTR1APOLL
SCHEMBL9828466 0.80 HTR2C (0.46) HTR2CF2F12HTR1APOLL
SCHEMBL28451223 0.79 F12 (0.39) HTR2CF12HTR1ASLC6A2SLC6A4
SCHEMBL27668937 0.78 F12 (0.36) HTR2CF2F12HTR1ASLC6A2
SCHEMBL28457172 0.78 MAPT (0.41) HTR2CF2F12HTR1ASLC6A2
SCHEMBL27821185 0.78 HTR1A (0.34) HTR1AHTR7ADRA2AADRA1AHTR2B
SCHEMBL22492639 0.77 F2 (0.48) HTR2CF2F12HTR1APOLL
SCHEMBL22492384 0.75 F2 (0.48) HTR2CF2F12POLLL3MBTL1
SCHEMBL22685450 0.75 HTR2C (0.42) HTR2CF12HTR1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases THE ROCKEFELLER UNIVERSITY (US) 2022-04-26 US disclosed
US-20200369677-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2020-11-26 US disclosed
CN-111670034-A Pyranopyrazoles and pyrazolopyridines immunomodulators for the treatment of autoimmune diseases 洛克菲勒大学 2020-09-15 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-20200369677-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 HTR2C 4379/4885F2 6/4885F12 14/4885
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases TFPI, TFPI2, SERPINC1 HTR2C 4379/4885F2 6/4885F12 14/4885

“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.