SCHEMBL326846

SCHEMBL326846

N#Cc1ccc(N2CCC(C(=O)O)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.55
GPR119 Q8TDV5 1/20 0.54
PANK3 Q9H999 7/20 0.54
DPP4 P27487 3/20 0.52
DPP8 Q6V1X1 1/20 0.52
DPP9 Q86TI2 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
JAK2 O60674 2/20 0.49
JAK3 P52333 2/20 0.49
JAK1 P23458 1/20 0.49
KCNH2 Q12809 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
NOTUM Q6P988 1/20 0.49

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
SCHEMBL2226561 0.92 NOTUM (0.56) CHRM4GPR119PANK3DPP4DPP8
SCHEMBL12639817 0.88 GPR119 (0.56) CHRM4GPR119PANK3DPP4JAK2
SCHEMBL3859652 0.88 CHRM4 (0.54) CHRM4GPR119PANK3DPP4DPP8
SCHEMBL16718831 0.83 JAK2 (0.54) CHRM4GPR119PANK3DPP4DPP8
SCHEMBL13622620 0.83 KCNH2 (0.55) CHRM4GPR119PANK3DPP4DPP8
SCHEMBL12099334 0.82 GPR119 (0.55) CHRM4GPR119PANK3DPP4JAK2
SCHEMBL3857665 0.81 USP30 (0.60) CHRM4GPR119PANK3DPP4LMNA
SCHEMBL17687593 0.81 GPR119 (0.52) CHRM4GPR119PANK3DPP4DPP8
SCHEMBL26292225 0.80 PANK3 (0.59) CHRM4GPR119PANK3
SCHEMBL31289277 0.80 GPR119 (0.56) CHRM4GPR119PANK3DPP4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174635-A1 TLR 9 INHIBITORS INSILICO MEDICINE IP LIMITED (HK) 2024-05-30 US disclosed
US-11807622-B2 TLR 9 inhibitors INSILICO MEDICINE IP LIMITED (HK) 2023-11-07 US disclosed
US-11807622-B2 TLR 9 inhibitors INSILICO MEDICINE IP LIMITED (HK) 2023-11-07 US disclosed
US-11807622-B2 TLR 9 inhibitors INSILICO MEDICINE IP LIMITED (HK) 2023-11-07 US disclosed
EP-3917920-A1 TLR INHIBITORS Insilico Medicine IP Limited (CN) 2021-12-08 EP disclosed
CN-113710659-A TLR inhibitors 英矽智能科技知识产权有限公司 2021-11-26 CN disclosed
US-20210253553-A1 TLR 9 INHIBITORS INSILICO MEDICINE IP LIMITED (HK) 2021-08-19 US disclosed
US-20210253553-A1 TLR 9 INHIBITORS INSILICO MEDICINE IP LIMITED (HK) 2021-08-19 US disclosed
US-11008303-B2 TLR 9 inhibitors INSILICO MEDICINE IP LIMITED (HK) 2021-05-18 US disclosed
US-11008303-B2 TLR 9 inhibitors INSILICO MEDICINE IP LIMITED (HK) 2021-05-18 US disclosed
EP-1615909-B1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2007-03-08 US disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1615909-A1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LIMITED (GB) 2006-01-18 EP disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2004101546-A1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
US-5442064-A Anticoagulants, antiagglomerants DR. KARL THOMAE GMBH (DE) 1995-08-15 US disclosed
CN-1087904-A Carboxylic acid derivative, the pharmaceutical composition that contains these compounds with and preparation method thereof KRAL THOMAE GMBH (DE) 1994-06-15 CN disclosed
EP-0592949-A2 N-(aminocarbonyl)-piperidines/pepirazines as aggregation inhibiting agents Dr. Karl Thomae GmbH (DE) 1994-04-20 EP 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-11008303-B2 TLR 9 inhibitors TLR9, TLR1, TLR7 CHRM4 2921/4885GPR119 32/4885PANK3 891/4885
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GRIN2A, GRIK5, GRIN2C CHRM4 1153/4885GPR119 1784/4885PANK3 1553/4885
US-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 CHRM4 81/4885GPR119 235/4885PANK3 3384/4885
US-20210253553-A1 TLR 9 INHIBITORS TLR9, TLR1, TLR7 CHRM4 3124/4885GPR119 32/4885PANK3 770/4885
US-11807622-B2 TLR 9 inhibitors TLR9, TLR1, TLR7 CHRM4 3124/4885GPR119 32/4885PANK3 770/4885
US-20240174635-A1 TLR 9 INHIBITORS TLR9, TLR1, TLR7 CHRM4 3124/4885GPR119 32/4885PANK3 770/4885

“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.