SCHEMBL12442

SCHEMBL12442

C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.62
EPHX1 P07099 1/20 0.55
RECQL P46063 1/20 0.51
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GPR119 Q8TDV5 4/20 0.48
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
PREP P48147 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
SCHEMBL12709 1.00 HPGD (0.62) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL8269500 1.00 HPGD (0.62) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL15107859 0.96 HPGD (0.61) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL13319 0.93 HPGD (0.60) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL21336690 0.91 HPGD (0.64) HPGDEPHX1RECQLUSP2SMN1; SMN2
Ammonia Solution, Strong SCHEMBL28293215 0.91 HPGD (0.58) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL12902 0.86 ALDH1A1 (0.56) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL771303 0.86 ALDH1A1 (0.56) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL12908 0.86 ALDH1A1 (0.56) HPGDEPHX1RECQLUSP2SMN1; SMN2
Formic Acid SCHEMBL29042879 0.86 HPGD (0.54) HPGDEPHX1RECQLUSP2SMN1; SMN2

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
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
WO-2014037313-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO 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
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 (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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA HPGD 2588/4885EPHX1 2852/4885RECQL 2771/4885

“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.