SCHEMBL3544761

SCHEMBL3544761

CC1(CC(=O)O)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 1/20 0.34
TSHR P16473 3/20 0.33
CYP1A2 P05177 2/20 0.33
FFAR3 O14843 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SMYD3 Q9H7B4 2/20 0.33
GABRA5 P31644 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30

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
Hydrochloric Acid SCHEMBL22323181 0.98 KDM4E (0.35) KDM4EKMT2ACYP2C19ALDH1A1OPRM1
SCHEMBL18191208 0.87 CYP2C19 (0.33) KDM4EKMT2ACYP2C19ALDH1A1TSHR
SCHEMBL598110 0.83
SCHEMBL17848512 0.80 KDM4E (0.44) KDM4EKMT2AOPRM1SMYD3
SCHEMBL1480296 0.78 CYP2C19 (0.50) KMT2ACYP2C19ALDH1A1TSHRCYP1A2
SCHEMBL5534731 0.78
SCHEMBL28587874 0.78 CA2 (0.47) CYP1A2GABRA5GABRB2GABRDGABRA1
SCHEMBL14173382 0.77 TP53 (0.40) KDM4EKMT2AOPRM1TSHRCYP1A2
SCHEMBL5534389 0.76 CYP2C19 (0.38) CYP2C19ALDH1A1TSHRCYP1A2FFAR3
SCHEMBL16621056 0.76 CYP1A2 (0.45) KDM4EKMT2ACYP2C19ALDH1A1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932601-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2024-03-19 US disclosed
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 EP disclosed
CN-112778299-B Piperazine ureido derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-07-14 CN disclosed
CN-109369635-B Compound or pharmaceutically acceptable salt thereof, application thereof and pharmaceutical composition 赛克里翁治疗有限公司 2023-06-30 CN disclosed
US-11649212-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-16 US disclosed
US-20230106002-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. 2023-04-06 US disclosed
CN-109384778-B Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder 赛克里翁治疗有限公司 2022-12-13 CN disclosed
CN-110016020-B Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof 赛克里翁治疗有限公司 2022-07-26 CN disclosed
EP-3998260-A1 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2022-05-18 EP disclosed
US-20220127247-A1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION (GNF) 2022-04-28 US disclosed
WO-2016073770-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 WO disclosed
US-20160031903-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-02-04 US disclosed
EP-2970243-A2 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
CN-105246882-A BCL-2/Bcl-xL inhibitors and methods of treatment using the same UNIV MICHIGAN 2016-01-13 CN disclosed
WO-2014144100-A2 SGC STIMULATORS NAKAI TAKASHI (US) 2014-09-18 WO disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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 (7 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-20230106002-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 KDM4E 2350/4885KMT2A 4250/4885CYP2C19 1024/4885
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 KDM4E 3511/4885KMT2A 1509/4885CYP2C19 214/4885
US-11649212-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT KDM4E 432/4885KMT2A 564/4885CYP2C19 965/4885
US-11932601-B2 Immunoregulatory agents IDO1, IDO2, INMT KDM4E 2099/4885KMT2A 1557/4885CYP2C19 3094/4885
US-20220127247-A1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, P2RY1, P2RX5 KDM4E 3273/4885KMT2A 3574/4885CYP2C19 783/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 KDM4E 3382/4885KMT2A 1490/4885CYP2C19 228/4885
US-20160031903-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 KDM4E 2350/4885KMT2A 4250/4885CYP2C19 1024/4885

“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.