SCHEMBL1722643

SCHEMBL1722643

COC[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
NR1H2 P55055 1/20 0.40
HSD11B1 P28845 1/20 0.33
AR P10275 1/20 0.33
RIPK1 Q13546 1/20 0.33
ATM Q13315 1/20 0.33
PDE4B Q07343 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PREP P48147 1/20 0.32

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
SCHEMBL1462675 1.00 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL1949659 1.00 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL28995745 1.00 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL1439401 1.00 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL10238568 1.00 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL8759154 0.89 CYP1A2 (0.41) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL12300132 0.88 CYP1A2 (0.42) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL8006914 0.88 CYP1A2 (0.42) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL1439543 0.88 CYP1A2 (0.40) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL1439540 0.88 CYP1A2 (0.40) CYP1A2POLBCYP3A4CYP2C19CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174662-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES CILAG AG (CH) 2024-05-30 US disclosed
US-11918582-B2 Pyrazole pyrimidine compounds and uses thereof RAPT THERAPEUTICS, INC. (US) 2024-03-05 US disclosed
EP-4284802-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES Janssen Biotech, Inc. (US) 2023-12-06 EP disclosed
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF RAPT THERAPEUTICS, INC. 2022-09-29 US disclosed
WO-2022197641-A1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-AMINE DERIVATIVES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS AND/OR INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES RAPT THERAPEUTICS, INC. (US) 2022-09-22 WO disclosed
WO-2022165530-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES JANSSEN BIOTECH, INC. (US) 2022-08-04 WO disclosed
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2017-02-23 US disclosed
CN-105037367-A Amino six-membered ring derivative and application thereof in medicines SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-11-11 CN disclosed
US-8759365-B2 Organic compounds NOVARTIS AG (CH) 2014-06-24 US disclosed
EP-2404901-A1 1,2-Disubstituted 4-benzylamino-pyrrolidine derivatives as CETP inhibitors useful for the treatment of diseases such as hyperlipidemia or arteriosclerosis Novartis AG (CH) 2012-01-11 EP disclosed
EP-2229356-B1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2011-10-12 EP disclosed
US-20100311750-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
EP-2229356-A1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS Novartis AG (CH) 2010-09-22 EP disclosed
WO-2009071509-A1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2009-06-11 WO disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 US disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 US disclosed
EP-0394991-B1 1-Azabicyclo(3.2.0)Hept-2-Ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO (JP) 1994-08-17 EP disclosed
US-5102877-A Carbapenicillin antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
WO-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed
EP-0394991-A1 1-Azabicyclo(3.2.0)Hept-2-Ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 EP 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-11918582-B2 Pyrazole pyrimidine compounds and uses thereof DCK, MCL1, DTYMK CYP1A2 3728/4885POLB 844/4885CYP3A4 3171/4885
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF DCK, MCL1, DTYMK CYP1A2 3728/4885POLB 844/4885CYP3A4 3171/4885
US-20240174662-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES SIK2, SIK1, SGK2 CYP1A2 4384/4885POLB 2630/4885CYP3A4 4792/4885
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 CYP1A2 2777/4885POLB 3880/4885CYP3A4 2581/4885
US-20100311750-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 CYP1A2 300/4885POLB 1082/4885CYP3A4 182/4885

“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.