SCHEMBL860060

SCHEMBL860060

CC(C)(C)C1[C@@H](CO)CCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL14994067 1.00 RIPK1 (0.33) RIPK1POLBL3MBTL1LMNACYP2C19
SCHEMBL16246924 1.00 RIPK1 (0.33) RIPK1POLBL3MBTL1LMNACYP2C19
SCHEMBL791000 1.00 RIPK1 (0.33) RIPK1POLBL3MBTL1LMNACYP2C19
SCHEMBL344649 1.00 RIPK1 (0.33) RIPK1POLBL3MBTL1LMNACYP2C19
SCHEMBL771956 0.90 POLB (0.41) RIPK1POLBL3MBTL1LMNACYP2C19
SCHEMBL5469615 0.90 POLB (0.41) RIPK1POLBL3MBTL1LMNACYP2C19
SCHEMBL506328 0.90 RIPK1 (0.31) RIPK1POLBL3MBTL1
SCHEMBL1975621 0.90 POLB (0.41) RIPK1POLBL3MBTL1LMNACYP2C19
SCHEMBL8646401 0.90 POLB (0.41) RIPK1POLBL3MBTL1LMNACYP2C19
SCHEMBL6398284 0.86 RIPK1 (0.31) RIPK1

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
CN-107849019-A A kind of azepine Cydic amide derivatives and preparation method thereof and purposes in medicine 四川海思科制药有限公司 2018-03-27 CN disclosed
WO-2017125060-A1 NITROGENOUS HETEROCYCLIC AMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION 四川海思科制药有限公司 2017-07-27 WO disclosed
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
US-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-02-27 US disclosed
US-8604049-B2 4-dimethylamino-phenyl-substituted naphthyridines, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-10 US disclosed
EP-2432555-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2012-03-28 EP disclosed
US-20110263549-A1 4-DIMETHYLAMINO-PHENYL-SUBSTITUTED NAPHTHYRIDINES, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 US 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 (4 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-20110263549-A1 4-DIMETHYLAMINO-PHENYL-SUBSTITUTED NAPHTHYRIDINES, AND USE THEREOF AS MEDICAMENTS NR4A3, NR4A1, NR1I3 RIPK1 4481/4885POLB 4291/4885L3MBTL1 4567/4885
US-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 RIPK1 3797/4885POLB 2575/4885L3MBTL1 1179/4885
US-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF HTR4, HTR3B, HTR3A RIPK1 1816/4885POLB 2810/4885L3MBTL1 4880/4885
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC RIPK1 2296/4885POLB 2914/4885L3MBTL1 2610/4885

“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.