SCHEMBL3207810

SCHEMBL3207810

COc1ccc(COC2CCCCO2)c2cc(CO)nn12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4C Q9H3R0 1/20 0.35
PDE4B Q07343 7/20 0.35
PDE3A Q14432 2/20 0.34
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 1/20 0.33
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
CXCR2 P25025 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN1 P18031 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
SCHEMBL3212270 0.92 NPC1 (0.39) NPC1RAB9AKDM4CPDE4BPDE3A
SCHEMBL3219605 0.82 PDE4B (0.39) NPC1RAB9AKDM4CPDE4BPDE3A
SCHEMBL3203863 0.80 PDE4B (0.44) NPC1RAB9APDE4BPDE3AEP300
SCHEMBL3226376 0.78 NPC1 (0.38) NPC1RAB9AKDM4CPDE4BPDE3A
SCHEMBL13240799 0.78 PDE4B (0.43) NPC1RAB9APDE4BPDE3AEP300
SCHEMBL3210906 0.77 PDE4B (0.43) PDE4BPDE3ACXCR2
SCHEMBL20521763 0.75 KDM4C (0.38) NPC1RAB9AKDM4CL3MBTL1EP300
SCHEMBL2969811 0.74 HTR2C (0.36) NPC1RAB9AKDM4CHTR2CSLC6A4
SCHEMBL3207493 0.73 MEN1 (0.37) NPC1RAB9AHTR2CSLC6A4EP300
SCHEMBL13425113 0.72 PDE4B (0.70) PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-24 US disclosed
EP-2060572-A1 PYRAZOLOPYRIDINE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-20 EP disclosed
EP-2058310-A1 PYRAZOLOPYRIDINE CARBOXAMIDE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR COMPRISING THE DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-13 EP 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-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient PDE3A, PDE5A, PDE3B NPC1 4252/4885RAB9A 580/4885KDM4C 1053/4885
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same PDE5A, PDE3A, PDE2A NPC1 4569/4885RAB9A 1502/4885KDM4C 1006/4885

“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.