SCHEMBL3447166

SCHEMBL3447166

CCOC(=O)CN1CC[C@@H](NC(=O)c2ccc(Cl)s2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 10/20 0.50
▸ KMT2A Q03164 5/20 0.47
▸ F2 P00734 2/20 0.44
▸ F11 P03951 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40

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
SCHEMBL3447170 1.00 F10 (0.50) F10KMT2AF2F11MEN1
SCHEMBL3448639 0.94 KMT2A (0.55) F10KMT2AF2F11MEN1
SCHEMBL13110278 0.84 F10 (0.55) F10KMT2AF2ALDH1A1HPGD
SCHEMBL3451539 0.81 DRD2 (0.58) KMT2AMEN1ALDH1A1TP53SMN1; SMN2
SCHEMBL3451543 0.81 DRD2 (0.58) KMT2AMEN1ALDH1A1TP53SMN1; SMN2
SCHEMBL3448298 0.81 F10 (0.50) F10KMT2AF2F11MEN1
SCHEMBL3448933 0.81 F10 (0.47) F10KMT2AF2F11MEN1
SCHEMBL3448260 0.80 F10 (0.46) F10KMT2AF2F11MEN1
SCHEMBL3448789 0.80 F10 (0.52) F10KMT2AF2F11MEN1
SCHEMBL3448256 0.80 F10 (0.46) F10KMT2AF2F11MEN1

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 F10 4/4885KMT2A 3519/4885F2 3/4885

“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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