SCHEMBL13045668

SCHEMBL13045668

Cc1cccnc1-c1csc(C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.42
▸ TGFBR1 P36897 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ NPC1 O15118 9/20 0.39
▸ RAB9A P51151 9/20 0.39
▸ KMT2A Q03164 7/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ MAPT P10636 4/20 0.39
▸ NFKB1 P19838 3/20 0.39
▸ NFKB2 Q00653 3/20 0.39
▸ RELA Q04206 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL13045684 0.83 TLR7 (0.41) TLR7NPC1RAB9AKMT2AMEN1
SCHEMBL3742595 0.79 TGFBR1 (0.48) METAP2TGFBR1CYP2A6NPC1RAB9A
SCHEMBL21448899 0.76 TLR7 (0.44) TLR7HTTPIK3CDPIK3CAPIK3CB
SCHEMBL24696014 0.76 ATP4A (0.51) METAP2TLR7NPC1RAB9AKMT2A
SCHEMBL1743410 0.76 CYP19A1 (0.56) TLR7NPC1RAB9AKMT2AMEN1
SCHEMBL10022327 0.70 CYP19A1 (0.61) NPC1RAB9AKDM4ETDP1POLB
SCHEMBL21495083 0.70 NPC1 (0.56) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL14558317 0.69 RAB9A (0.50) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2754043 0.69 ALDH1A1 (0.55) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL13045666 0.69 CCR1 (0.55) METAP2TLR7CYP2A6NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders BENTLEY JONATHAN 2010-11-11 — — US disclosed
US-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders BENTLEY JONATHAN 2010-11-11 — — US disclosed
US-20090042897-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2009-02-12 — — US disclosed
US-20090042897-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2009-02-12 — — US disclosed
WO-2008092888-A1 1-OXA-3-AZASPIRO[4,5]DECAN--2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 — — WO disclosed
WO-2008092891-A1 1-OXA-3-AZASPIRO(4.5)DECAN-2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 — — 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 (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-20090042897-A1 Chemical Compounds NPY5R, NPY1R, NPY2R METAP2 2529/4885TLR7 1499/4885TGFBR1 2168/4885
US-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders NPY5R, NPY1R, NPY4R METAP2 3912/4885TLR7 3040/4885TGFBR1 2267/4885

“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.

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