SCHEMBL1908657

SCHEMBL1908657

CN1CC[C@@H](N2CCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
L3MBTL3 Q96JM7 8/20 0.42
L3MBTL1 Q9Y468 8/20 0.42
MBTD1 Q05BQ5 2/20 0.36
NCF1 P14598 1/20 0.36
HTR6 P50406 1/20 0.35
TP53BP1 Q12888 1/20 0.34
L3MBTL4 Q8NA19 1/20 0.34
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL358559 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL3L3MBTL1MBTD1NCF1
SCHEMBL8272496 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL3L3MBTL1MBTD1NCF1
SCHEMBL8438291 0.98 ALDH1A1 (0.43) ALDH1A1L3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL8439289 0.98 ALDH1A1 (0.43) ALDH1A1L3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL8374383 0.98 ALDH1A1 (0.43) ALDH1A1L3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL8272489 0.98 ALDH1A1 (0.43) ALDH1A1L3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL8272492 0.98 ALDH1A1 (0.43) ALDH1A1L3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL23588990 0.95 ALDH1A1 (0.44) ALDH1A1L3MBTL3L3MBTL1MBTD1NCF1
SCHEMBL25853905 0.95 ALDH1A1 (0.44) ALDH1A1L3MBTL3L3MBTL1MBTD1NCF1
SCHEMBL15600757 0.95 ALDH1A1 (0.44) ALDH1A1L3MBTL3L3MBTL1MBTD1NCF1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. 2023-04-20 US disclosed
WO-2021129820-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND 微境生物医药科技(上海)有限公司 2021-07-01 WO disclosed
US-10208067-B2 Compounds for treating spinal muscular atrophy HOFFMANN-LA ROCHE INC. (US) 2019-02-19 US disclosed
US-20180194781-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. (US) 2018-07-12 US disclosed
WO-2016184832-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2016-11-24 WO disclosed
WO-2015197503-A1 IMIDAZO[1,2-A]PYRAZIN-1YL-BENZAMIDE COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-12-30 WO disclosed
WO-2015173181-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-11-19 WO disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2007121918-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2006028290-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND MITSUBISHI PHARMA CORPORATION (JP) 2006-03-16 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 (6 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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ALDH1A1 387/4885L3MBTL3 3112/4885L3MBTL1 3197/4885
US-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ALDH1A1 478/4885L3MBTL3 4737/4885L3MBTL1 4781/4885
US-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 ALDH1A1 4740/4885L3MBTL3 1663/4885L3MBTL1 1271/4885
US-20180194781-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, PYGM, CPT1B ALDH1A1 770/4885L3MBTL3 4141/4885L3MBTL1 3623/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 ALDH1A1 201/4885L3MBTL3 4518/4885L3MBTL1 4436/4885
US-10208067-B2 Compounds for treating spinal muscular atrophy SMN1; SMN2, PYGM, CPT1B ALDH1A1 770/4885L3MBTL3 4141/4885L3MBTL1 3623/4885

“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.