SCHEMBL12208908

SCHEMBL12208908

CN1CC(NC(=O)C(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.36
SSTR4 P31391 4/20 0.35
SSTR1 P30872 3/20 0.35
KDM5A P29375 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
CCR2 P41597 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
F2R P25116 1/20 0.35
HTR1A P08908 1/20 0.34

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
SCHEMBL24665327 0.84 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL22643850 0.84 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA9
SCHEMBL13242300 0.84 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA9
SCHEMBL26251997 0.81 CA1 (0.60) ALDH1A1CA12CA1CA2CA9
SCHEMBL10434331 0.81 PKM (0.38) ALDH1A1CA2SSTR4SSTR1PDK1
SCHEMBL23059414 0.79 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL12612604 0.79 ALDH1A1 (0.64) ALDH1A1CA12CA1CA2CA9
SCHEMBL24665328 0.78 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL21779842 0.78 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL21100016 0.77 ALDH1A1 (0.60) ALDH1A1CA12CA1CA2CA9

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
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US disclosed
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US disclosed
EP-4215530-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2023-07-26 EP disclosed
US-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-01-26 US disclosed
US-20220348584-A1 PERK INHIBITING INDOLINYL COMPOUNDS HIBERCELL, INC. 2022-11-03 US disclosed
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
US-20210309652-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2021-10-07 US disclosed
EP-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-20130060013-A1 Compounds useful for treating neurodegenerative disorders SATORI PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20110251379-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS SATORI PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
US-20110251379-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS SATORI PHARMACEUTICALS, INC. (US) 2011-10-13 US 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-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 ALDH1A1 665/4885CA12 3803/4885CA1 2878/4885
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 ALDH1A1 4836/4885CA12 4722/4885CA1 4736/4885
US-20210309652-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS PRDX1, CYP4X1, RDX ALDH1A1 1072/4885CA12 4431/4885CA1 2628/4885
US-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNA3, KCNH2, KCNJ2 ALDH1A1 1910/4885CA12 4636/4885CA1 3440/4885
US-20130060013-A1 Compounds useful for treating neurodegenerative disorders SNCA, HTT, CLN6 ALDH1A1 588/4885CA12 2253/4885CA1 450/4885
US-20110251379-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS CLN6, NLN, ACHE ALDH1A1 642/4885CA12 2027/4885CA1 980/4885
US-20220348584-A1 PERK INHIBITING INDOLINYL COMPOUNDS ATF4, MAP3K10, EEF2K ALDH1A1 2603/4885CA12 4864/4885CA1 4749/4885

“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.