SCHEMBL4041583

SCHEMBL4041583

CCOC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 2/20 0.42
MAPT P10636 2/20 0.41
FKBP1A P62942 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PIK3CD O00329 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL4038363 0.92 RECQL (0.49) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL2865263 0.89 MEN1 (0.43) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL14251810 0.89 MEN1 (0.43) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL4043624 0.86 MEN1 (0.40) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL31483 0.86 HPGD (0.47) HPGDALDH1A1MEN1KMT2ARECQL
SCHEMBL6654601 0.84 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL31204 0.83 HSD17B10 (0.49) HPGDALDH1A1MEN1KMT2ARECQL
SCHEMBL14841356 0.81 HPGD (0.47) HPGDALDH1A1MEN1KMT2ARECQL
SCHEMBL27619275 0.81 ALDH1A1 (0.41) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL28721332 0.80 HPGD (0.48) HPGDALDH1A1MEN1KMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 HPGD 2468/4885ALDH1A1 3369/4885MEN1 3865/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS HPGD 3510/4885ALDH1A1 4117/4885MEN1 3716/4885

“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.