SCHEMBL1558037

SCHEMBL1558037

O=C(O)N1CCC(c2cccc(O)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.58
DRD3 P35462 8/20 0.51
DRD4 P21917 8/20 0.49
HTR1A P08908 7/20 0.49
DRD1 P21728 7/20 0.49
DRD5 P21918 7/20 0.49
MGLL Q99685 1/20 0.48
QDPR P09417 1/20 0.48

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
SCHEMBL7482001 0.86 QDPR (0.66) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL1531725 0.83 KCNH2 (0.59)
SCHEMBL2637025 0.83 NPC1 (0.61) DRD4
SCHEMBL18585948 0.83 HDAC4 (0.50) DRD2DRD3DRD4DRD1DRD5
SCHEMBL6251685 0.83 NPC1 (0.45) DRD2QDPR
SCHEMBL4615095 0.83 NPC1 (0.45) MGLLQDPR
Hydrogen Sulfide SCHEMBL27863722 0.81 KCNH2 (0.58)
SCHEMBL17596063 0.80 DRD2 (0.50) DRD2DRD3
SCHEMBL2384566 0.80 SMN1; SMN2 (0.62) DRD2
SCHEMBL17398139 0.80 ESR2 (0.55) QDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024149080-A1 4-ALKOXY BENZIMIDAZOLE-6-CARBOXYLIC ACID DERIVATIVE SERVING AS GLP-1 RECEPTOR AGONIST 中国科学院上海药物研究所 2024-07-18 WO disclosed
WO-2021259309-A1 GLP-1 RECEPTOR AGONIST, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 广州市恒诺康医药科技有限公司 2021-12-30 WO disclosed
EP-3083595-A1 PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-10-26 EP disclosed
US-9096500-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-04 US disclosed
WO-2015091988-A1 PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-06-25 WO disclosed
EP-2593428-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 EP disclosed
US-20130109701-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20120184572-A1 ARYL GPR119 AGONISTS AND USES THEREOF METABOLEX, INC. 2012-07-19 US disclosed
US-20110294836-A1 ARYL GPR119 AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2011-12-01 US disclosed
EP-2303859-A2 ARYL GPR119 AGONISTS AND USES THEREOF Metabolex Inc. (US) 2011-04-06 EP disclosed
WO-2010008739-A2 ARYL GPR119 AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2010-01-21 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 (3 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-20120184572-A1 ARYL GPR119 AGONISTS AND USES THEREOF GPR119, GPR27, GPR65 DRD2 947/4885DRD3 1974/4885DRD4 2357/4885
US-20130109701-A1 Chemical Compounds SCN1A, SCN1B, SCN7A DRD2 1081/4885DRD3 627/4885DRD4 1443/4885
US-20110294836-A1 ARYL GPR119 AGONISTS AND USES THEREOF GPR119, GPR27, GPR65 DRD2 947/4885DRD3 1974/4885DRD4 2357/4885

“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.