SCHEMBL882968

SCHEMBL882968

CCC(=O)c1ncccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.50
WNT3A P56704 4/20 0.50
P2RX7 Q99572 1/20 0.48
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
PTGS1 P23219 1/20 0.37
DRD3 P35462 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL18622307 0.82 P2RX7 (0.47) CTNNB1WNT3AP2RX7MAPTSMN1; SMN2
SCHEMBL27509594 0.78 MEN1 (0.35) CTNNB1WNT3AP2RX7MAPTSMN1; SMN2
SCHEMBL15148333 0.76 APLNR (0.41) CTNNB1WNT3AMAPTSMN1; SMN2RAB9A
SCHEMBL15096486 0.76 LMNA (0.53) CTNNB1WNT3AP2RX7MAPTSMN1; SMN2
SCHEMBL8523693 0.76 CTNNB1 (0.52) CTNNB1WNT3AMAPTALDH1A1HTT
SCHEMBL8744790 0.75 P2RX7 (0.54) CTNNB1WNT3AP2RX7SMN1; SMN2L3MBTL1
SCHEMBL4550609 0.75 CTNNB1 (0.50) CTNNB1WNT3AP2RX7KMT2A
SCHEMBL6317653 0.75 CTNNB1 (0.50) CTNNB1WNT3AP2RX7SMN1; SMN2NPC1
SCHEMBL22092246 0.75 AGBL2 (0.38) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL5162955 0.74 P2RX7 (0.44) CTNNB1WNT3AP2RX7SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894413-B1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP disclosed
CN-116323558-A Compounds and methods for treating diseases 艾特里提治疗有限公司 2023-06-23 CN disclosed
US-20220017526-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-01-20 US disclosed
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-22 US disclosed
US-20210155632-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2021-05-27 US disclosed
US-20210155632-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2021-05-27 US disclosed
WO-2020123272-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-18 WO disclosed
EP-2951182-B1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2020-03-18 EP disclosed
US-10316041-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2019-06-11 US disclosed
US-20190016723-A9 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-17 US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
WO-2014120800-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. (US) 2014-08-07 WO disclosed
WO-2014120784-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. (US) 2014-08-07 WO disclosed
EP-2641901-A1 Novel microbiocides Syngenta Participations AG. (CH) 2013-09-25 EP disclosed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 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 (8 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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 CTNNB1 4804/4885WNT3A 3169/4885P2RX7 630/4885
US-10316041-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A CTNNB1 3517/4885WNT3A 4008/4885P2RX7 1888/4885
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 CTNNB1 2623/4885WNT3A 3454/4885P2RX7 157/4885
US-20190016723-A9 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 CTNNB1 1771/4885WNT3A 810/4885P2RX7 4411/4885
US-20210155632-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A CTNNB1 3517/4885WNT3A 4008/4885P2RX7 1888/4885
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 CTNNB1 2318/4885WNT3A 2218/4885P2RX7 221/4885
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof IDE, SI, GPR119 CTNNB1 1771/4885WNT3A 810/4885P2RX7 4411/4885
US-20220017526-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS PDE9A, PDE5A, PDE12 CTNNB1 3806/4885WNT3A 4072/4885P2RX7 395/4885

“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.