SCHEMBL13808570

SCHEMBL13808570

CC(C)NC1(C(=O)N2CCN(Cc3ccccc3)CC2)CCN(C)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
CYP2D6 P10635 3/20 0.65
MC4R P32245 1/20 0.50
HSD11B1 P28845 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 3/20 0.48
HTT P42858 3/20 0.48
MEN1 O00255 2/20 0.48
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
FAAH O00519 2/20 0.47
LMNA P02545 1/20 0.46
NPFFR1 Q9GZQ6 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46
MAPK1 P28482 1/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL8189826 0.92 ALDH1A1 (0.66) ALDH1A1CYP2D6HSD11B1SMN1; SMN2KMT2A
SCHEMBL14389582 0.87 ALDH1A1 (0.61) ALDH1A1CYP2D6HSD11B1SMN1; SMN2KMT2A
SCHEMBL8233437 0.85 ALDH1A1 (0.61) ALDH1A1CYP2D6HSD11B1SMN1; SMN2KMT2A
SCHEMBL13808566 0.79 HSD11B1 (0.41) ALDH1A1CYP2D6HSD11B1KMT2AHTT
SCHEMBL3934933 0.79 CYP2D6 (1.00) ALDH1A1CYP2D6TSHRCYP3A4CYP2C9
SCHEMBL13817700 0.79 FAAH (0.56) ALDH1A1CYP2D6HSD11B1SMN1; SMN2KMT2A
SCHEMBL15461513 0.78 CYP2D6 (0.75) ALDH1A1CYP2D6KMT2AMEN1TSHR
SCHEMBL3396545 0.78 MC4R (0.55) ALDH1A1CYP2D6MC4RHSD11B1SMN1; SMN2
SCHEMBL7627269 0.76 LMNA (0.58) ALDH1A1HSD11B1SMN1; SMN2KMT2AHTT
SCHEMBL14473035 0.74 ALDH1A1 (0.52) ALDH1A1CYP2D6HSD11B1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156624-A1 Methionine aminopeptidase-2 inhibitors and methods of use thereof PRAECIS PHARMACEUTICALS INC (US) 2009-06-18 US disclosed
US-7405194-B2 Therapeutic agents and methods of use thereof for the treatment of melanoma PRAECIS PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-7348307-B2 Methionine aminopeptidase-2 inhibitors and methods of use thereof PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-25 US disclosed
US-20070254843-A1 Methods for treating bone associated diseases by the use of methionine aminopeptidase-2 inhibitors PRAECIS PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070161570-A1 Methionine aminopeptidase-2 inhibitors and methods of use thereof PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
US-20070117758-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis PRAECIS PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
US-20070010452-A1 Methionine aminopeptidase-2 inhibitors and methods of use thereof PRAECIS PHARMACEUTICALS, INC. (US) 2007-01-11 US disclosed
US-7157420-B2 Therapeutic agents and methods of use thereof for the modulation of angiogenesis PRAECIS PHARMACEUTICALS, INC. (US) 2007-01-02 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 (5 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-20070010452-A1 Methionine aminopeptidase-2 inhibitors and methods of use thereof METAP2, METAP1, DNPEP ALDH1A1 1155/4885CYP2D6 2134/4885MC4R 2324/4885
US-20070117758-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis METAP2, METAP1, ADM2 ALDH1A1 4016/4885CYP2D6 4800/4885MC4R 672/4885
US-20070161570-A1 Methionine aminopeptidase-2 inhibitors and methods of use thereof METAP2, METAP1, LNPEP ALDH1A1 2278/4885CYP2D6 2876/4885MC4R 559/4885
US-20070254843-A1 Methods for treating bone associated diseases by the use of methionine aminopeptidase-2 inhibitors METAP2, ENPEP, METAP1 ALDH1A1 2702/4885CYP2D6 3944/4885MC4R 687/4885
US-20090156624-A1 Methionine aminopeptidase-2 inhibitors and methods of use thereof METAP2, METAP1, DNPEP ALDH1A1 1155/4885CYP2D6 2134/4885MC4R 2324/4885

“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.