SCHEMBL13745049

SCHEMBL13745049

CC(C)N1CCN(CCC(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.50
▸ CYP1A2 P05177 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ DAO P14920 1/20 0.41
▸ MAOB P27338 4/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ APEX1 P27695 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ TP53 P04637 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
Hydrochloric Acid SCHEMBL2949425 0.98 GLA (0.53) GLACYP1A2SMN1; SMN2MAPK1DAO
SCHEMBL19464841 0.89 SMN1; SMN2 (0.58) GLACYP1A2SMN1; SMN2MAPK1DAO
SCHEMBL13515770 0.85 GLA (0.47) GLACYP1A2SMN1; SMN2MAPK1LMNA
SCHEMBL13993887 0.84 PAOX (0.47) SMN1; SMN2DAOMAOBBCHEACHE
SCHEMBL24911981 0.83 GLA (0.46) GLACYP1A2SMN1; SMN2MAPK1LMNA
SCHEMBL7027263 0.82 GLA (0.67) GLACYP1A2SMN1; SMN2MAPK1LMNA
SCHEMBL3973280 0.82 GLA (0.67) GLACYP1A2SMN1; SMN2MAPK1LMNA
SCHEMBL1069692 0.82 — —
SCHEMBL6536452 0.82 GLA (0.67) GLACYP1A2SMN1; SMN2MAPK1LMNA
SCHEMBL29972868 0.82 L3MBTL1 (0.57) SMN1; SMN2DAOMAOBBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023223055-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-11-23 — — WO disclosed
US-20230149401-A1 FURIN INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS BP ASSET V, INC. (US) 2023-05-18 — — US disclosed
US-20230011571-A1 SMALL MOLECULE FURIN INHIBITORS FOR TREATING INFECTIOUS DISEASES BP ASSET V, INC. (US) 2023-01-12 — — US disclosed
US-11530199-B2 Analogs for the treatment of disease INSILICO MEDICINE IP LIMITED (HK) 2022-12-20 — — US disclosed
US-11530197-B2 Analogs for the treatment of disease INSILICO MEDICINE IP LIMITED (HK) 2022-12-20 — — US disclosed
WO-2022189810-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2022-09-15 — — WO disclosed
US-20220127613-A1 Functionally-Modified Oligonucleotides And Subunits Thereof SAREPTA THERAPEUTICS INC (US) 2022-04-28 — — US disclosed
US-11161856-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-11-02 — — US disclosed
US-10300075-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2019-05-28 — — US disclosed
US-10183944-B2 Pyrimido-pyridazinone compounds and methods of use thereof ASANA BIOSCIENCES, LLC (US) 2019-01-22 — — US disclosed
US-9790499-B2 Functionally-modified oligonucleotides and subunits thereof SAREPTA THERAPEUTICS, INC. (US) 2017-10-17 — — US disclosed
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 — — US disclosed
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-05-25 — — US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 — — US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 — — US disclosed
CN-100439351-C Benzofuran derivative TANABE SEIYAKU CO (JP) 2008-12-03 — — CN disclosed
CN-1656086-A Benzofuran derivative TANABE SEIYAKU CO (JP) 2005-08-17 — — CN 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 (11 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-10183944-B2 Pyrimido-pyridazinone compounds and methods of use thereof THPO, TYMP, TYMS GLA 3847/4885CYP1A2 258/4885SMN1; SMN2 1227/4885
US-11530199-B2 Analogs for the treatment of disease MAP4K4, MAP4K5, MAP4K2 GLA 1085/4885CYP1A2 2718/4885SMN1; SMN2 651/4885
US-11161856-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, VKORC1L1 GLA 1168/4885CYP1A2 1248/4885SMN1; SMN2 1308/4885
US-20230011571-A1 SMALL MOLECULE FURIN INHIBITORS FOR TREATING INFECTIOUS DISEASES FURIN, LGMN, PLAU GLA 228/4885CYP1A2 4762/4885SMN1; SMN2 1227/4885
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP GLA 2900/4885CYP1A2 1702/4885SMN1; SMN2 1603/4885
US-20230149401-A1 FURIN INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS FURIN, ACE, ACE2 GLA 577/4885CYP1A2 3332/4885SMN1; SMN2 4024/4885
US-11530197-B2 Analogs for the treatment of disease MAP4K4, MAP4K5, MAP4K2 GLA 1085/4885CYP1A2 2718/4885SMN1; SMN2 651/4885
US-10300075-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 GLA 3242/4885CYP1A2 3986/4885SMN1; SMN2 1842/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 GLA 1656/4885CYP1A2 87/4885SMN1; SMN2 3067/4885
US-20220127613-A1 Functionally-Modified Oligonucleotides And Subunits Thereof RTCB, NSUN3, NSUN2 GLA 3321/4885CYP1A2 4739/4885SMN1; SMN2 203/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 GLA 3819/4885CYP1A2 172/4885SMN1; SMN2 3594/4885

“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.

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