SCHEMBL3582413

SCHEMBL3582413

O=CCC(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 3/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
FKBP1A P62942 2/20 0.43
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1081817 0.81 L3MBTL1 (0.53) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL27734669 0.81 L3MBTL1 (0.53) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL3082371 0.79 ATM (0.52) L3MBTL1TSHRSMN1; SMN2GAAALDH1A1
SCHEMBL6203722 0.79 ATM (0.52) L3MBTL1TSHRSMN1; SMN2GAAALDH1A1
SCHEMBL4816120 0.79 L3MBTL1 (0.52) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL27755282 0.79 L3MBTL1 (0.52) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL3988863 0.78 L3MBTL1 (0.50) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL27396631 0.77 ATM (0.50) L3MBTL1TSHRSMN1; SMN2GAAALDH1A1
SCHEMBL3753324 0.77 L3MBTL1 (0.64) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL4811695 0.76 GLA (0.56) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110204544-B 2- (morpholin-4-yl) -1, 7-naphthyridine 拜耳制药股份公司 2022-04-12 CN disclosed
CN-110256427-B 2- (morpholin-4-yl) -1, 7-naphthyridine 拜耳制药股份公司 2022-02-22 CN disclosed
US-20100004252-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN GRUENENTHAL GMBH (DE) 2010-01-07 US disclosed
US-7625900-B2 Sutstituted tetrahydropyrrolopyrazine compounds and the use thereof in the treatment and/or inhibition of pain GRUENENTHAL GMBH (DE) 2009-12-01 US disclosed
EP-2112993-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS HAVING AFFINITY WITH THE KCNQ2/3 K+ CHANNEL AND USE THEREOF IN MEDICAMENTS Grünenthal GmbH (DE) 2009-11-04 EP disclosed
WO-2009029375-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-03-05 WO disclosed
US-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-03-05 US disclosed
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain GRUENENTHAL GMBH (DE) 2008-07-10 US disclosed
WO-2008046582-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS HAVING AFFINITY WITH THE KCNQ2/3 K+ CHANNEL AND USE THEREOF IN MEDICAMENTS Grünenthal GmbH (DE) 2008-04-24 WO disclosed
CN-1054598-C Pharmacologically active hydrazine derivatives and processes for preparation thereof NORVATIS CO (CH) 2000-07-19 CN disclosed
CN-1093701-A Antiretroviral hydrazine derivative CIBA GEIGY AG (CH) 1994-10-19 CN disclosed
CN-1089606-A Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1994-07-20 CN disclosed
CN-1068333-A Has hydrazine analog derivative of pharmacologically active and preparation method thereof CIBA GEIGY AG (CH) 1993-01-27 CN 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 (3 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-20100004252-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN KCNQ2, KCNQ1, KCNJ2 L3MBTL1 3956/4885TSHR 4456/4885ALOX15 1402/4885
US-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP11, PARP2 L3MBTL1 2301/4885TSHR 4074/4885ALOX15 1783/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 L3MBTL1 3956/4885TSHR 4456/4885ALOX15 1402/4885

“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.