SCHEMBL12636

SCHEMBL12636

C[C@@H]1CCCN(C(=O)C2CCOCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
ALDH1A1 P00352 6/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 5/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 4/20 0.48
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL16254889 1.00 MAPT (0.52) MAPTALDH1A1LMNAMAPK1KDM4E
SCHEMBL12449665 1.00 MAPT (0.52) MAPTALDH1A1LMNAMAPK1KDM4E
SCHEMBL25811370 0.90 RECQL (0.49) MAPTALDH1A1LMNAMAPK1KDM4E
SCHEMBL25811371 0.90 RECQL (0.49) MAPTALDH1A1LMNAMAPK1KDM4E
SCHEMBL478741 0.88 ALDH1A1 (0.58) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL8414750 0.88 ALDH1A1 (0.58) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL12385794 0.88 ALDH1A1 (0.58) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL15014482 0.86 ALDH1A1 (0.56) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL15014599 0.86 ALDH1A1 (0.56) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL13212406 0.86 ALDH1A1 (0.56) MAPTALDH1A1LMNAKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA MAPT 965/4885ALDH1A1 3185/4885LMNA 4520/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 MAPT 4361/4885ALDH1A1 1168/4885LMNA 1043/4885

“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.