SCHEMBL738620

SCHEMBL738620

[CH]1CCC(N2CCOCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
L3MBTL3 Q96JM7 2/20 0.38
OPRL1 P41146 2/20 0.37
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
CYP2A13 Q16696 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 2/20 0.32
ACHE P22303 1/20 0.31
HTR7 P34969 2/20 0.30
HRH3 Q9Y5N1 2/20 0.30
EPHX2 P34913 1/20 0.30
HSD11B1 P28845 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL737575 0.90 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1L3MBTL3OPRL1ALDH1A1
SCHEMBL738738 0.88 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1L3MBTL3OPRL1ALDH1A1
SCHEMBL736886 0.83 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1L3MBTL3OPRL1ALDH1A1
SCHEMBL6704503 0.83 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1L3MBTL3OPRL1ALDH1A1
SCHEMBL738309 0.78 L3MBTL3 (0.41) L3MBTL1L3MBTL3
Ammonia Solution, Strong SCHEMBL4295582 0.78 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1L3MBTL3OPRL1ALDH1A1
SCHEMBL737566 0.76 L3MBTL3 (0.40) L3MBTL1L3MBTL3OPRL1KDM4E
SCHEMBL735577 0.76 L3MBTL3 (0.40) L3MBTL1L3MBTL3OPRL1KDM4E
SCHEMBL737518 0.76 L3MBTL3 (0.40) L3MBTL1L3MBTL3OPRL1KDM4E
SCHEMBL3168997 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104797588-A Macrolide derivatives, preparation thereof and therapeutic use thereof SANOFI SA 2015-07-22 CN claimed
CN-104797588-B Macrolide derivatives, its preparation and its therapeutical uses 赛诺菲 2017-10-20 CN disclosed
CN-104797588-A Macrolide derivatives, preparation thereof and therapeutic use thereof SANOFI SA 2015-07-22 CN disclosed
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
EP-1944301-A1 NOVEL BENZOXATHIIN DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 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 (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-20100168156-A1 Novel Benzoxathiine Derivative XDH, GPR119, BRIX1 SMN1; SMN2 3660/4885L3MBTL1 1803/4885L3MBTL3 2226/4885
US-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 SMN1; SMN2 4135/4885L3MBTL1 2505/4885L3MBTL3 3450/4885
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 SMN1; SMN2 2278/4885L3MBTL1 2929/4885L3MBTL3 3251/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 SMN1; SMN2 2278/4885L3MBTL1 2929/4885L3MBTL3 3251/4885
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 SMN1; SMN2 2656/4885L3MBTL1 2263/4885L3MBTL3 2714/4885

“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.