SCHEMBL13445004

SCHEMBL13445004

CC1CC1C(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.50
CHRNA3 P32297 12/20 0.50
CHRNA4 P43681 12/20 0.50
CHRNB3 Q05901 4/20 0.50
CHRNA6 Q15825 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
CHRNB4 P30926 8/20 0.47
CHRNA7 P36544 8/20 0.47
RECQL P46063 1/20 0.46
TSHR P16473 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL16865198 0.84 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7389926 0.78 SMN1; SMN2 (0.42) SMN1; SMN2RECQLTSHRCTSSCTSK
SCHEMBL16424010 0.78 ALDH1A1 (0.45) SMN1; SMN2RECQLTSHRLMNAUSP2
SCHEMBL16838112 0.77 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16433761 0.76 TSHR (0.49) SMN1; SMN2RECQLTSHRCTSSCTSK
SCHEMBL16424043 0.76 TSHR (0.49) SMN1; SMN2RECQLTSHRCTSSCTSK
SCHEMBL16433815 0.76 TSHR (0.49) SMN1; SMN2RECQLTSHRCTSSCTSK
SCHEMBL17885747 0.76 RECQL (0.58) SMN1; SMN2RECQLTSHRCTSSCTSK
SCHEMBL20083906 0.75 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL939255 0.75 CHRNB2 (0.56) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-20100063080-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-11 US disclosed
US-20100063080-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-11 US disclosed
WO-2008061740-A1 PYRIMIDINES AND THEIR USE AS CXCR2 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 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-20100063080-A1 CXCR2 inhibitors CXCR2, CXCR1, CXCR3 CHRNB2 3741/4885CHRNA3 4341/4885CHRNA4 4445/4885

“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.