SCHEMBL321690

SCHEMBL321690

N#Cc1ccc(N2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.58
FFAR2 O15552 1/20 0.56
KDM4E B2RXH2 2/20 0.51
TP53 P04637 1/20 0.51
AKR1C3 P42330 1/20 0.51
CHRM4 P08173 1/20 0.51
POLB P06746 1/20 0.48
PARP1 P09874 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
CYP2C19 P33261 1/20 0.45
CCR5 P51681 1/20 0.45
DPP4 P27487 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL16695320 0.91 NOTUM (0.71) NOTUMFFAR2
SCHEMBL18286575 0.86 KDM4E (0.54) NOTUMFFAR2KDM4ETP53CHRM4
SCHEMBL16769738 0.86 KDM4E (0.50) NOTUMFFAR2KDM4ETP53CHRM4
SCHEMBL12582094 0.83 PANK3 (0.49) NOTUMFFAR2KDM4ETP53CHRM4
SCHEMBL23752715 0.82 NOTUM (0.60) NOTUMFFAR2KDM4ETP53CCR5
SCHEMBL22099629 0.82 NOTUM (0.60) NOTUMFFAR2KDM4ETP53CCR5
SCHEMBL16648433 0.82 MAPT (0.61) FFAR2KDM4ETP53CHRM4POLB
SCHEMBL1164809 0.82 CHRM4 (0.53) NOTUMFFAR2KDM4ETP53CHRM4
SCHEMBL3487510 0.80 KDM4E (0.47) FFAR2KDM4ETP53CHRM4POLB
SCHEMBL7753402 0.80 FFAR4 (0.52) FFAR2KDM4ETP53CHRM4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773249-B Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2024-08-16 CN disclosed
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
CN-114773249-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2022-07-22 CN 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
EP-1660481-A1 PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-05-31 EP 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-1585517-A1 USE OF SUBSTITUTED 2-PHENYLBENZIMIDAZOLES AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-10-19 EP disclosed
WO-2005016915-A1 PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-02-24 WO disclosed
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US 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-2004062663-A1 USE OF SUBSTITUTED 2-PHENYLBENZIMIDAZOLES AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-07-29 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 (4 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-20210253553-A1 TLR 9 INHIBITORS TLR9, TLR1, TLR7 NOTUM 3826/4885FFAR2 278/4885KDM4E 943/4885
US-11807622-B2 TLR 9 inhibitors TLR9, TLR1, TLR7 NOTUM 3826/4885FFAR2 278/4885KDM4E 943/4885
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR NOTUM 3388/4885FFAR2 112/4885KDM4E 2371/4885
US-20240174635-A1 TLR 9 INHIBITORS TLR9, TLR1, TLR7 NOTUM 3826/4885FFAR2 278/4885KDM4E 943/4885

“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.