SCHEMBL3451539

SCHEMBL3451539

CCOC(=O)CN1CC[C@@H](NC(=O)c2ccc(Cl)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.58
▸ DRD4 P21917 4/20 0.58
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CCR2 P41597 3/20 0.53
▸ MCHR1 Q99705 1/20 0.48
▸ CHRNA7 P36544 1/20 0.48
▸ SLC6A5 Q9Y345 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CHRM1 P11229 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
SCHEMBL3451543 1.00 DRD2 (0.58) DRD2DRD4KDM4EALDH1A1SMN1; SMN2
SCHEMBL10282567 0.84 DRD4 (0.67) DRD2DRD4KDM4EALDH1A1SMN1; SMN2
SCHEMBL3447170 0.81 F10 (0.50) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3447166 0.81 F10 (0.50) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16828014 0.80 ALDH1A1 (0.78) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14637904 0.77 LMNA (0.59) DRD4MEN1KMT2ALMNATP53
SCHEMBL3448639 0.75 KMT2A (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL15134840 0.75 MEN1 (0.62) DRD2DRD4CHRNA7SLC6A5MEN1
SCHEMBL19231707 0.74 DRD4 (0.54) DRD2DRD4KDM4EALDH1A1SMN1; SMN2
SCHEMBL8706523 0.74 DRD2 (1.00) DRD2DRD4CCR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
EP-1877404-A2 NOVEL CYCLIC AMINES F. Hoffmann-Roche AG (CH) 2008-01-16 — — EP disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 — — WO disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 — — WO disclosed
US-20060247238-A1 Cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 — — 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-20060247238-A1 Cyclic amines F12, F11, F2 DRD2 2536/4885DRD4 2514/4885KDM4E 2242/4885

“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.

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