SCHEMBL3169200

SCHEMBL3169200

COC(=O)C(C)(C)CC1CCN(C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
RBP4 P02753 2/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
BRD4 O60885 1/20 0.35
AKR1C3 P42330 1/20 0.34
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL595189 0.83 KDM4E (0.50) SMN1; SMN2KDM4EPKMALDH1A1
SCHEMBL9939580 0.82 THRA (0.40) SMN1; SMN2KDM4E
SCHEMBL6265066 0.81 THRA (0.43) KDM4EPKMITGB3ITGA2BALDH1A1
SCHEMBL10681272 0.78 MMP1 (0.41) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL595697 0.76 ALOX15 (0.39) SMN1; SMN2ITGB3ITGA2BALDH1A1
SCHEMBL30016965 0.76 THRA (0.36)
SCHEMBL3270029 0.75 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNARAB9A
Hydrochloric Acid SCHEMBL3160421 0.75 ALOX15 (0.38) ITGB3ITGA2B
SCHEMBL2538084 0.73 KDM4E (0.33) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4127454 0.73 ALDH1A1 (0.47) SMN1; SMN2ITGB3ITGA2BALDH1A1RAB9A

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-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
EP-1615699-B1 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK SHARP & DOHME (US) 2010-03-24 EP disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 US disclosed
US-20060069088-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK SHARP & DOHME LLC 2006-03-30 US disclosed
EP-1615699-A2 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
WO-2004092124-A2 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK & CO., INC. (US) 2004-10-28 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-20060069088-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 SMN1; SMN2 4609/4885KDM4E 3926/4885PKM 3755/4885
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 SMN1; SMN2 4609/4885KDM4E 3926/4885PKM 3755/4885

“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.