SCHEMBL4638141

SCHEMBL4638141

CCOC(=O)[C@H]1CN(Cc2ccccc2)CCO1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
ATM Q13315 1/20 0.54
SIGMAR1 Q99720 2/20 0.53
ALDH1A1 P00352 3/20 0.50
GRIN2B Q13224 2/20 0.50
KDM4E B2RXH2 2/20 0.49
DRD4 P21917 2/20 0.49
CCR8 P51685 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4638143 1.00 L3MBTL1 (0.54) L3MBTL1ATMSIGMAR1ALDH1A1GRIN2B
SCHEMBL2904781 1.00 L3MBTL1 (0.54) L3MBTL1ATMSIGMAR1ALDH1A1GRIN2B
SCHEMBL17048422 0.88 CCR8 (0.66) ALDH1A1GRIN2BKDM4EDRD4CCR8
SCHEMBL12696580 0.87 GRIN2B (0.54) GRIN2BDRD4
SCHEMBL2069105 0.87 GRIN2B (0.54) GRIN2BDRD4
Hydrochloric Acid SCHEMBL27624207 0.86 GRIN2B (0.53) GRIN2BDRD4
SCHEMBL25062425 0.86 GRIN2B (0.47) L3MBTL1ATMSIGMAR1GRIN2BDRD4
SCHEMBL2902494 0.83 DRD4 (0.52) GRIN2BKDM4EDRD4
SCHEMBL1759419 0.83 DRD4 (0.55) GRIN2BDRD4
SCHEMBL3521678 0.83 DRD4 (0.57) ALDH1A1GRIN2BKDM4EDRD4

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
EP-1729754-B1 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES LILLY CO ELI (US) 2008-07-02 EP disclosed
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition ELI LILY AND COMPANY (US) 2007-01-18 US disclosed
EP-1729754-A2 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION ELI LILLY AND COMPANY (US) 2006-12-13 EP disclosed
WO-2005060949-A2 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION ELI LILLY AND COMPANY (US) 2005-07-07 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-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A L3MBTL1 3499/4885ATM 3812/4885SIGMAR1 539/4885

“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.