SCHEMBL220868

SCHEMBL220868

[CH2]N1CCN(C(C)=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PIK3CD O00329 1/20 0.48
CASP6 P55212 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
EPHX2 P34913 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL18784062 0.90 CYP1A2 (0.52) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL37407 0.87
SCHEMBL14407779 0.87 CYP1A2 (0.77) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL860793 0.87 CYP1A2 (0.77) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL771501 0.80 CYP1A2 (0.59) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL14305208 0.80 CYP1A2 (0.59) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL1197207 0.79 CYP1A2 (0.65) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL10364731 0.78 CYP1A2 (0.56) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL33260 0.77 CYP1A2 (1.00) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL13925516 0.77 CYP1A2 (1.00) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057771-B Macrocyclic compounds, their preparation and use 北京鞍石生物科技有限责任公司 2023-10-03 CN claimed
CN-114057771-A Macrocyclic compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2022-02-18 CN claimed
EP-3257848-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY Novartis AG (CH) 2017-12-20 EP claimed
EP-2773635-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY NOVARTIS AG (CH) 2017-08-02 EP claimed
EP-2861605-B1 6-Benzyl-6H-thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-one derivatives as phosphodiesterase-1 (PDE-1) inhibitors for the treatment of e.g. neurological, cognitive and cardiovascular disorders DART NEUROSCIENCE (CAYMAN) LTD (KY) 2017-05-03 EP claimed
US-9499562-B2 Substituted thiophene- and furan-fused azolopyrimidine-5-(6H)-one compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2016-11-22 US claimed
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP claimed
US-20160031901-A1 SUBSTITUTED THIOPHENE- AND FURAN-FUSED AZOLOPYRIMIDINE-5-(6H)-ONE COMPOUNDS DART NEUROSCIENCE LLC 2016-02-04 US claimed
US-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-07-16 US claimed
CN-102459251-B Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene a4 hydrolase JANSSEN PHARMACEUTICA NV 2015-05-20 CN claimed
EP-1102750-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES AstraZeneca AB (SE) 2001-05-30 EP claimed
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP claimed
WO-2000055120-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO claimed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO claimed
EP-1017378-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca UK Limited (GB) 2000-07-12 EP claimed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 WO claimed
WO-2000007991-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES ASTRAZENECA AB (SE) 2000-02-17 WO claimed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 WO claimed
WO-1999015164-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ZENECA LIMITED (GB) 1999-04-01 WO claimed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20160031901-A1 SUBSTITUTED THIOPHENE- AND FURAN-FUSED AZOLOPYRIMIDINE-5-(6H)-ONE COMPOUNDS TPMT, PSEN2, GRIN2C CYP1A2 54/4885TDP1 189/4885SMN1; SMN2 132/4885
US-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity EGFR, ERBB2, ERBB3 CYP1A2 4799/4885TDP1 4273/4885SMN1; SMN2 4819/4885

“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.