SCHEMBL2995050

SCHEMBL2995050

O=C(Nc1cnc2ccccc2c1)C1CCC2(CC1)CN(c1ccccc1)C(=O)O2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.51
EPHX2 P34913 1/20 0.49
RAB9A P51151 3/20 0.45
MAPT P10636 1/20 0.45
CNR2 P34972 1/20 0.44
NPY5R Q15761 8/20 0.43
KCNH2 Q12809 4/20 0.43
ADRA1A P35348 4/20 0.43
KDR P35968 1/20 0.43
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.42
OTUD7B Q6GQQ9 1/20 0.42

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
SCHEMBL2995049 1.00 TRPV1 (0.51) TRPV1EPHX2RAB9AMAPTCNR2
Hydrochloric Acid SCHEMBL3010863 0.99 TRPV1 (0.51) TRPV1EPHX2RAB9AMAPTCNR2
Hydrochloric Acid SCHEMBL3010859 0.99 TRPV1 (0.51) TRPV1EPHX2RAB9AMAPTCNR2
SCHEMBL3003397 0.88 NPY5R (0.48) TRPV1EPHX2RAB9AMAPTNPY5R
SCHEMBL3003400 0.88 NPY5R (0.48) TRPV1EPHX2RAB9AMAPTNPY5R
Hydrochloric Acid SCHEMBL3011727 0.88 NPY5R (0.47) TRPV1EPHX2RAB9AMAPTNPY5R
Hydrochloric Acid SCHEMBL3011728 0.88 NPY5R (0.47) TRPV1EPHX2RAB9AMAPTNPY5R
SCHEMBL3010756 0.86 NPY5R (0.46) NPY5RKCNH2ADRA1AKDM4EPOLB
SCHEMBL3005653 0.86 NPY5R (0.46) NPY5RKCNH2ADRA1AKDM4EPOLB
Hydrochloric Acid SCHEMBL3008669 0.85 NPY5R (0.45) NPY5RKCNH2ADRA1AKDM4EPOLB

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-20100197699-A1 I-OXA-3-Azaspiro (4.5) Decan-2-One And 1-OXA-3, 8-Diazaspiro (4.5) Decan-2-One Derivatives For The Treatment of Eating Disorders GLAXO GROUP LIMITED 2010-08-05 US claimed
US-20100197699-A1 I-OXA-3-Azaspiro (4.5) Decan-2-One And 1-OXA-3, 8-Diazaspiro (4.5) Decan-2-One Derivatives For The Treatment of Eating Disorders GLAXO GROUP LIMITED 2010-08-05 US disclosed
EP-2121673-A1 I-OXA-3-AZASPIRO (4.5) DECAN-2-ONE AND 1-OXA-3, 8-DIAZASPIRO (4.5) DECAN-2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP disclosed
WO-2008092887-A1 I-OXA-3-AZASPIRO (4.5) DECAN-2-ONE AND 1-OXA-3, 8-DIAZASPIRO (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 (1 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-20100197699-A1 I-OXA-3-Azaspiro (4.5) Decan-2-One And 1-OXA-3, 8-Diazaspiro (4.5) Decan-2-One Derivatives For The Treatment of Eating Disorders NPY5R, NPY1R, NPY4R TRPV1 1252/4885EPHX2 3194/4885RAB9A 3413/4885

“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.