SCHEMBL3960309

SCHEMBL3960309

COC(=O)N1CCC(CI)(C(=O)OC)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.46
USP2 O75604 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 8/20 0.41
CYP2C19 P33261 5/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 3/20 0.40
TSHR P16473 3/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 3/20 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
SCHEMBL3960313 0.86 CYP2D6 (0.46) CYP2D6USP2CYP2C9CYP1A2CYP3A4
SCHEMBL4129353 0.86 PKM (0.48) USP2
SCHEMBL10177234 0.81
SCHEMBL5317700 0.78 CYP2D6 (0.42) CYP2D6USP2CYP2C9CYP1A2CYP3A4
SCHEMBL6358085 0.78 CYP2D6 (0.42) CYP2D6USP2CYP2C9CYP1A2CYP3A4
SCHEMBL1969086 0.77 CYP4F2 (0.55) CYP3A4CYP2C19MEN1KMT2AALDH1A1
SCHEMBL4542407 0.77 PKM (0.42) USP2
SCHEMBL3293624 0.76 CYP4F2 (0.53) CYP3A4CYP2C19MEN1KMT2ATSHR
SCHEMBL6731550 0.73 CYP3A4 (0.39) CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL28877805 0.73 USP2 (0.47) CYP2D6USP2CYP2C9CYP1A2CYP3A4

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
EP-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 WO disclosed
WO-2005117882-A9 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORP (US) 2007-03-01 WO disclosed
WO-2005117882-A9 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORP (US) 2007-03-01 WO disclosed
WO-2005117882-A2 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORPORATION (US) 2005-12-15 WO disclosed
US-20050250789-A1 Hydroxamic acid derivatives as metalloprotease inhibitors INCYTE CORPORATION 2005-11-10 US 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-20050250789-A1 Hydroxamic acid derivatives as metalloprotease inhibitors MMP9, MMP17, MMP25 CYP2D6 1191/4885USP2 2343/4885CYP2C9 449/4885

“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.