SCHEMBL2251815

SCHEMBL2251815

COC1CN(C(=O)OC(C)(C)C)CCC1CO

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
PDE4B Q07343 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL22413339 1.00 NR1H2 (0.49) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL22413340 1.00 NR1H2 (0.49) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL2251816 1.00 NR1H2 (0.49) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL7387263 0.90 HPGD (0.43) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL855309 0.90 HPGD (0.43) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL8197412 0.90 HPGD (0.43) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL12356485 0.90 HPGD (0.43) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL7387261 0.90 HPGD (0.43) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL6775860 0.90 HPGD (0.43) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL13349281 0.90 HPGD (0.43) NR1H2HPGDALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144841-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE 2022-05-12 US disclosed
WO-2020186196-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-09-17 WO disclosed
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 US disclosed
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 US disclosed
WO-2009105717-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 WO disclosed
EP-0880500-B1 ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-07-31 EP disclosed
US-6096761-A REACTING A N-SUBSTITUTED 4-METHANOL-3-HYDROXY OR ALKOXY-PIPERIDINE INTERMEDIATE WITH A CARBOXYLIC ACID DERIVATIVES; ADMINISTERING TO AN ANIMAL SUFFERING WITH A CONDITION RELATED TO HAMPERED OR IMPAIRED GASTRIC EMPTYING JANSSEN PHARMACEUTICA N.V. (BE) 2000-08-01 US disclosed
EP-0880500-A1 ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-02 EP disclosed
WO-1997030031-A1 ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-08-21 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-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 NR1H2 39/4885HPGD 1169/4885ALDH1A1 1462/4885
US-20220144841-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS CDK7, CDK8, CDK3 NR1H2 3313/4885HPGD 3011/4885ALDH1A1 3291/4885

“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.